N,N-dimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-2-amine

• ChemBase ID: 830393
• Molecular Formular: C20H28N6
• Molecular Mass: 352.47652
• Monoisotopic Mass: 352.23754493
• SMILES: n1c(c2c(nc1N(C)C)CNCC2)N1CCN(c2c(C)cccc2)CC1
• Canonical SMILES: Cc1ccccc1N1CCN(CC1)c1nc(nc2c1CCNC2)N(C)C
• InChI: InChI=1S/C20H28N6/c1-15-6-4-5-7-18(15)25-10-12-26(13-11-25)19-16-8-9-21-14-17(16)22-20(23-19)24(2)3/h4-7,21H,8-14H2,1-3H3
• InChIKey: FPGLHACFSCQXJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-2-amine
• IUPAC Traditional name: N,N-dimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-2-amine
• Synonyms: N,N-dimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.1419868
• LogD (pH = 7.4): 2.8689373
• Log P: 3.470437
• Molar Refractivity: 109.4642 cm^3
• Polarizability: 39.87559 Å^3
• Polar Surface Area: 47.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.65
• LOG S: -3.02
• Polar Surface Area: 47.53 Å^2
• Rotatable Bonds: 3