5-[4-(dimethylamino)-2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]pyridin-2-amine

• ChemBase ID: 331143
• Molecular Formular: C16H20N6O
• Molecular Mass: 312.3696
• Monoisotopic Mass: 312.16985929
• SMILES: c12c(nc(nc1CN(C(=O)c1cnc(cc1)N)CC2)C)N(C)C
• Canonical SMILES: Nc1ccc(cn1)C(=O)N1CCc2c(C1)nc(nc2N(C)C)C
• InChI: InChI=1S/C16H20N6O/c1-10-19-13-9-22(7-6-12(13)15(20-10)21(2)3)16(23)11-4-5-14(17)18-8-11/h4-5,8H,6-7,9H2,1-3H3,(H2,17,18)
• InChIKey: JVBCRGRWIXJGGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(dimethylamino)-2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]pyridin-2-amine
• IUPAC Traditional name: 5-[4-(dimethylamino)-2-methyl-5H,6H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]pyridin-2-amine
• Synonyms: 7-[(6-amino-3-pyridinyl)carbonyl]-N,N,2-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.78012663
• LogD (pH = 7.4): 1.1550428
• Log P: 1.1610821
• Molar Refractivity: 91.2176 cm^3
• Polarizability: 32.601757 Å^3
• Polar Surface Area: 88.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.22
• LOG S: -2.98
• Polar Surface Area: 88.24 Å^2
• Rotatable Bonds: 2