N2,N2,N4,5,6-pentamethyl-N4-{[2-(methylamino)pyrimidin-5-yl]methyl}pyrimidine-2,4-diamine

• ChemBase ID: 661276
• Molecular Formular: C15H23N7
• Molecular Mass: 301.39002
• Monoisotopic Mass: 301.20149377
• SMILES: n1c(c(c(nc1N(C)C)C)C)N(Cc1cnc(nc1)NC)C
• Canonical SMILES: CNc1ncc(cn1)CN(c1nc(nc(c1C)C)N(C)C)C
• InChI: InChI=1S/C15H23N7/c1-10-11(2)19-15(21(4)5)20-13(10)22(6)9-12-7-17-14(16-3)18-8-12/h7-8H,9H2,1-6H3,(H,16,17,18)
• InChIKey: YGGFNQAWXYWYCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2,N2,N4,5,6-pentamethyl-N4-{[2-(methylamino)pyrimidin-5-yl]methyl}pyrimidine-2,4-diamine
• IUPAC Traditional name: N2,N2,N4,5,6-pentamethyl-N4-{[2-(methylamino)pyrimidin-5-yl]methyl}pyrimidine-2,4-diamine
• Synonyms: N~2~,N~2~,N~4~,5,6-pentamethyl-N~4~-{[2-(methylamino)pyrimidin-5-yl]methyl}pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.555819
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 0.48059085
• LogD (pH = 7.4): 1.808539
• Log P: 2.1363852
• Molar Refractivity: 92.8884 cm^3
• Polarizability: 32.49584 Å^3
• Polar Surface Area: 70.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.57
• LOG S: -3.6
• Polar Surface Area: 70.07 Å^2
• Rotatable Bonds: 5