N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide

• ChemBase ID: 509692
• Molecular Formular: C16H25N5O
• Molecular Mass: 303.4026
• Monoisotopic Mass: 303.20591045
• SMILES: c1(N2CC(C(=O)NC3CC3)NCC2)nc(ncc1CCC)C
• Canonical SMILES: CCCc1cnc(nc1N1CCNC(C1)C(=O)NC1CC1)C
• InChI: InChI=1S/C16H25N5O/c1-3-4-12-9-18-11(2)19-15(12)21-8-7-17-14(10-21)16(22)20-13-5-6-13/h9,13-14,17H,3-8,10H2,1-2H3,(H,20,22)
• InChIKey: VWQUCHAPMIIYOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide
• Synonyms: N-cyclopropyl-4-(2-methyl-5-propyl-4-pyrimidinyl)-2-piperazinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.140329
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.6579055
• LogD (pH = 7.4): 1.4405601
• Log P: 1.7215226
• Molar Refractivity: 86.8474 cm^3
• Polarizability: 32.90256 Å^3
• Polar Surface Area: 70.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.25
• LOG S: -2.94
• Polar Surface Area: 70.15 Å^2
• Rotatable Bonds: 5