2-methyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine

• ChemBase ID: 257941
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: n1c2c(cnc1C)CNCC2
• Canonical SMILES: Cc1ncc2c(n1)CCNC2
• InChI: InChI=1S/C8H11N3/c1-6-10-5-7-4-9-3-2-8(7)11-6/h5,9H,2-4H2,1H3
• InChIKey: WFGUTPUYXDVQLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
• IUPAC Traditional name: 2-methyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
• Synonyms: 2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

Database IDs

• CAS Number: 676994-65-3
• MDL Number: MFCD09040774
• PubChem SID: 164313851
• PubChem CID: 11096174

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6797082
• LogD (pH = 7.4): -0.97134805
• Log P: 0.18622641
• Molar Refractivity: 43.3265 cm^3
• Polarizability: 16.540966 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.36

Product Information

• Purity: 95%