N,N-dimethyl-2-phenyl-7-{spiro[2.3]hexane-1-carbonyl}-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 318704
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: n1c(c2c(nc1c1ccccc1)CN(C(=O)C1C3(C1)CCC3)CC2)N(C)C
• Canonical SMILES: O=C(C1CC21CCC2)N1CCc2c(C1)nc(nc2N(C)C)c1ccccc1
• InChI: InChI=1S/C22H26N4O/c1-25(2)20-16-9-12-26(21(27)17-13-22(17)10-6-11-22)14-18(16)23-19(24-20)15-7-4-3-5-8-15/h3-5,7-8,17H,6,9-14H2,1-2H3
• InChIKey: UQCXSRDTMJXHIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-phenyl-7-{spiro[2.3]hexane-1-carbonyl}-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N,N-dimethyl-2-phenyl-7-{spiro[2.3]hexane-1-carbonyl}-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N,N-dimethyl-2-phenyl-7-(spiro[2.3]hex-1-ylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.9624815
• LogD (pH = 7.4): 3.996561
• Log P: 3.9970136
• Molar Refractivity: 117.6985 cm^3
• Polarizability: 41.068447 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.14
• LOG S: -4.52
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3