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

• ChemBase ID: 509967
• Molecular Formular: C20H24N4O2
• Molecular Mass: 352.43016
• Monoisotopic Mass: 352.18992603
• SMILES: n1c(c2c(nc1c1ccccc1)CN(C(=O)C1OCCC1)CC2)N(C)C
• Canonical SMILES: O=C(N1CCc2c(C1)nc(nc2N(C)C)c1ccccc1)C1CCCO1
• InChI: InChI=1S/C20H24N4O2/c1-23(2)19-15-10-11-24(20(25)17-9-6-12-26-17)13-16(15)21-18(22-19)14-7-4-3-5-8-14/h3-5,7-8,17H,6,9-13H2,1-2H3
• InChIKey: IQMLUUVDJHJABO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-7-(oxolane-2-carbonyl)-2-phenyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N,N-dimethyl-7-(oxolane-2-carbonyl)-2-phenyl-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N,N-dimethyl-2-phenyl-7-(tetrahydro-2-furanylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.891115
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9486148
• LogD (pH = 7.4): 2.9826608
• Log P: 2.9831126
• Molar Refractivity: 112.2165 cm^3
• Polarizability: 38.800323 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.55
• LOG S: -3.09
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3