2-cyclopropyl-5-[(2S,5R)-2,5-dimethylpiperazine-1-carbonyl]pyrimidine

• ChemBase ID: 531359
• Molecular Formular: C14H20N4O
• Molecular Mass: 260.3348
• Monoisotopic Mass: 260.16371128
• SMILES: N1(C(=O)c2cnc(nc2)C2CC2)C[C@H](NC[C@@H]1C)C
• Canonical SMILES: C[C@H]1NC[C@@H](N(C1)C(=O)c1cnc(nc1)C1CC1)C
• InChI: InChI=1S/C14H20N4O/c1-9-8-18(10(2)5-15-9)14(19)12-6-16-13(17-7-12)11-3-4-11/h6-7,9-11,15H,3-5,8H2,1-2H3/t9-,10+/m1/s1
• InChIKey: DLUVFWIFSCWOEP-ZJUUUORDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-5-[(2S,5R)-2,5-dimethylpiperazine-1-carbonyl]pyrimidine
• IUPAC Traditional name: 2-cyclopropyl-5-[(2S,5R)-2,5-dimethylpiperazine-1-carbonyl]pyrimidine
• Synonyms: 2-cyclopropyl-5-{[(2S,5R)-2,5-dimethylpiperazin-1-yl]carbonyl}pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7183611
• LogD (pH = 7.4): 0.03385177
• Log P: 0.75914127
• Molar Refractivity: 73.2107 cm^3
• Polarizability: 27.947477 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.52
• LOG S: -1.97
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 2