2-(dimethylamino)-1-[4-(dimethylamino)-2-phenyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-7-yl]ethan-1-one

• ChemBase ID: 817358
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: n1c(c2c(nc1c1ccccc1)CN(C(=O)CN(C)C)CC2)N(C)C
• Canonical SMILES: CN(CC(=O)N1CCc2c(C1)nc(nc2N(C)C)c1ccccc1)C
• InChI: InChI=1S/C19H25N5O/c1-22(2)13-17(25)24-11-10-15-16(12-24)20-18(21-19(15)23(3)4)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3
• InChIKey: OHJBZAPLJNIXCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-1-[4-(dimethylamino)-2-phenyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-7-yl]ethan-1-one
• IUPAC Traditional name: 2-(dimethylamino)-1-[4-(dimethylamino)-2-phenyl-5H,6H,8H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
• Synonyms: 7-[(dimethylamino)acetyl]-N,N-dimethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.52520126
• LogD (pH = 7.4): 2.199596
• Log P: 2.5532608
• Molar Refractivity: 111.9058 cm^3
• Polarizability: 38.52741 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.86
• LOG S: -3.26
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 4