N2,N2,5,6-tetramethyl-N4-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine

• ChemBase ID: 392379
• Molecular Formular: C14H25N5
• Molecular Mass: 263.3818
• Monoisotopic Mass: 263.21099583
• SMILES: n1c(nc(c(c1NC1CCN(CC1)C)C)C)N(C)C
• Canonical SMILES: CN1CCC(CC1)Nc1nc(nc(c1C)C)N(C)C
• InChI: InChI=1S/C14H25N5/c1-10-11(2)15-14(18(3)4)17-13(10)16-12-6-8-19(5)9-7-12/h12H,6-9H2,1-5H3,(H,15,16,17)
• InChIKey: VZKCKGAYTLPCIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2,N2,5,6-tetramethyl-N4-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
• IUPAC Traditional name: N2,N2,5,6-tetramethyl-N4-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
• Synonyms: N~2~,N~2~,5,6-tetramethyl-N~4~-(1-methyl-4-piperidinyl)-2,4-pyrimidinediamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.916885
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.0345657
• LogD (pH = 7.4): -0.0296554
• Log P: 1.5753987
• Molar Refractivity: 82.688 cm^3
• Polarizability: 29.870146 Å^3
• Polar Surface Area: 44.29 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: 2.41
• LOG S: -2.17
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 3