6-methyl-N4-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrimidine-2,4-diamine

• ChemBase ID: 418524
• Molecular Formular: C19H20N6
• Molecular Mass: 332.4023
• Monoisotopic Mass: 332.17494467
• SMILES: n1c(NC2c3c(nc(nc3)c3ccccc3)CCC2)cc(nc1N)C
• Canonical SMILES: Cc1cc(nc(n1)N)NC1CCCc2c1cnc(n2)c1ccccc1
• InChI: InChI=1S/C19H20N6/c1-12-10-17(25-19(20)22-12)23-15-8-5-9-16-14(15)11-21-18(24-16)13-6-3-2-4-7-13/h2-4,6-7,10-11,15H,5,8-9H2,1H3,(H3,20,22,23,25)
• InChIKey: OJHCXGGUDMGXHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N4-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrimidine-2,4-diamine
• IUPAC Traditional name: 6-methyl-N4-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrimidine-2,4-diamine
• Synonyms: 6-methyl-N~4~-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.021198
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.4181201
• LogD (pH = 7.4): 2.4964852
• Log P: 3.243065
• Molar Refractivity: 110.9135 cm^3
• Polarizability: 37.21572 Å^3
• Polar Surface Area: 89.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.93
• LOG S: -4.98
• Polar Surface Area: 89.61 Å^2
• Rotatable Bonds: 3