2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-(1-propylcyclopropyl)acetamide

• ChemBase ID: 314589
• Molecular Formular: C14H22N4O
• Molecular Mass: 262.35068
• Monoisotopic Mass: 262.17936134
• SMILES: c1(c(nc(nc1C)N)C)CC(=O)NC1(CC1)CCC
• Canonical SMILES: CCCC1(CC1)NC(=O)Cc1c(C)nc(nc1C)N
• InChI: InChI=1S/C14H22N4O/c1-4-5-14(6-7-14)18-12(19)8-11-9(2)16-13(15)17-10(11)3/h4-8H2,1-3H3,(H,18,19)(H2,15,16,17)
• InChIKey: VTIVLBXNXHHSHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-(1-propylcyclopropyl)acetamide
• IUPAC Traditional name: 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-(1-propylcyclopropyl)acetamide
• Synonyms: 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-(1-propylcyclopropyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.246685
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.7588774
• LogD (pH = 7.4): 0.92740184
• Log P: 0.9300499
• Molar Refractivity: 75.5526 cm^3
• Polarizability: 28.420883 Å^3
• Polar Surface Area: 80.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.99
• LOG S: -1.96
• Polar Surface Area: 80.9 Å^2
• Rotatable Bonds: 5