5,7-DIHYDRO-2-METHYLTHIENO(3,4-D)PYRIMIDINE (CHEM005357)

Record Information
Version1.0
Creation Date2016-05-19 02:01:05 UTC
Update Date2026-08-24 08:56:08 UTC
Accession NumberCHEM005357
Identification
Common Name5,7-DIHYDRO-2-METHYLTHIENO(3,4-D)PYRIMIDINE
ClassSmall Molecule
Description
Cystine-derived Maillard produced 5,7-Dihydro-2-methylthieno[3,4-d]pyrimidine is a flavouring ingredient. Sweetness enhancer at low concentration (10 ppm), at higher concentration enhances root vegetable flavour in chicken broth base.
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
2-Methyl-5,7-dihydrothieno(3,4-D)pyrimidineHMDB
2-Methyl-5,7-dihydrothieno[3,4-D]pyrimidineHMDB
5,7-dihydro-2-Methyl-thieno(3,4-D)pyrimidineHMDB
5,7-dihydro-2-methylthieno(3,4-D)PyrimidineHMDB
FEMA 3338HMDB
Chemical FormulaC7H8N2S
Average Molecular Mass152.220 g/mol
Monoisotopic Mass152.041 g/mol
CAS Registry Number36267-71-7
IUPAC Name2-methyl-5H,7H-thieno[3,4-d]pyrimidine
Traditional Name2-methyl-5H,7H-thieno[3,4-d]pyrimidine
SMILESNot Available
InChI IdentifierInChI=1S/C7H8N2S/c1-5-8-2-6-3-10-4-7(6)9-5/h2H,3-4H2,1H3
InChI KeyXSUYIZJJKIKWFN-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassThienopyrimidines
Sub ClassNot Available
Direct ParentThienopyrimidines
Alternative Parents
Substituents
  • Thienopyrimidine
  • Pyrimidine
  • Heteroaromatic compound
  • Azacycle
  • Dialkylthioether
  • Thioether
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility7.17 g/LALOGPS
logP0.95ALOGPS
logP0.95ChemAxon
logS-1.3ALOGPS
pKa (Strongest Basic)2.02ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area25.78 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity43.02 m³·mol⁻¹ChemAxon
Polarizability16.05 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0041565
FooDB IDFDB021555
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID55809
ChEBI IDNot Available
PubChem Compound ID61951
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.