N,N-dimethyl-7-(pyrazine-2-carbonyl)-2-(pyridin-4-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 549110
• Molecular Formular: C19H19N7O
• Molecular Mass: 361.40046
• Monoisotopic Mass: 361.16510826
• SMILES: n1c(c2c(nc1c1ccncc1)CN(C(=O)c1nccnc1)CC2)N(C)C
• Canonical SMILES: CN(c1nc(nc2c1CCN(C2)C(=O)c1cnccn1)c1ccncc1)C
• InChI: InChI=1S/C19H19N7O/c1-25(2)18-14-5-10-26(19(27)15-11-21-8-9-22-15)12-16(14)23-17(24-18)13-3-6-20-7-4-13/h3-4,6-9,11H,5,10,12H2,1-2H3
• InChIKey: LYGDVXFNRSHXPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-7-(pyrazine-2-carbonyl)-2-(pyridin-4-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N,N-dimethyl-7-(pyrazine-2-carbonyl)-2-(pyridin-4-yl)-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N,N-dimethyl-7-(2-pyrazinylcarbonyl)-2-(4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 1.050595
• LogD (pH = 7.4): 1.0779787
• Log P: 1.0783385
• Molar Refractivity: 112.3046 cm^3
• Polarizability: 38.176075 Å^3
• Polar Surface Area: 88.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.29
• LOG S: -2.9
• Polar Surface Area: 88.0 Å^2
• Rotatable Bonds: 3