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

• ChemBase ID: 271309
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: n1c2c(cnc1C)CCNC2
• Canonical SMILES: Cc1nc2CNCCc2cn1
• InChI: InChI=1S/C8H11N3/c1-6-10-4-7-2-3-9-5-8(7)11-6/h4,9H,2-3,5H2,1H3
• InChIKey: SOTVGSLUVOXBFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18916740
• PubChem SID: 164327219
• PubChem CID: 54592578

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0713167
• LogD (pH = 7.4): -0.33528617
• Log P: 0.26974562
• Molar Refractivity: 43.3821 cm^3
• Polarizability: 16.54254 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%