6-cyclobutanecarbonyl-N-methyl-4-(pyrrolidine-1-carbonyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine

• ChemBase ID: 682171
• Molecular Formular: C18H25N5O2
• Molecular Mass: 343.4234
• Monoisotopic Mass: 343.20082507
• SMILES: c12c(C(=O)N3CCCC3)nc(nc1CCN(C2)C(=O)C1CCC1)NC
• Canonical SMILES: CNc1nc2CCN(Cc2c(n1)C(=O)N1CCCC1)C(=O)C1CCC1
• InChI: InChI=1S/C18H25N5O2/c1-19-18-20-14-7-10-23(16(24)12-5-4-6-12)11-13(14)15(21-18)17(25)22-8-2-3-9-22/h12H,2-11H2,1H3,(H,19,20,21)
• InChIKey: YMMOEEMSWJNXFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-cyclobutanecarbonyl-N-methyl-4-(pyrrolidine-1-carbonyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine
• IUPAC Traditional name: 6-cyclobutanecarbonyl-N-methyl-4-(pyrrolidine-1-carbonyl)-5H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine
• Synonyms: 6-(cyclobutylcarbonyl)-N-methyl-4-(1-pyrrolidinylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.846167
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.75328726
• LogD (pH = 7.4): 0.75330746
• Log P: 0.75330776
• Molar Refractivity: 96.4488 cm^3
• Polarizability: 35.517128 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.8
• LOG S: -2.33
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 3