4-hydroxy-2-methyl-N-{[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methyl}pyrimidine-5-carboxamide

• ChemBase ID: 818231
• Molecular Formular: C14H17N5O2
• Molecular Mass: 287.31708
• Monoisotopic Mass: 287.13822481
• SMILES: c1(c(nc(nc1)C)O)C(=O)NCC1(CC1)Cn1nccc1
• Canonical SMILES: Cc1ncc(c(n1)O)C(=O)NCC1(CC1)Cn1cccn1
• InChI: InChI=1S/C14H17N5O2/c1-10-15-7-11(13(21)18-10)12(20)16-8-14(3-4-14)9-19-6-2-5-17-19/h2,5-7H,3-4,8-9H2,1H3,(H,16,20)(H,15,18,21)
• InChIKey: SACRDSKRZRYGRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-2-methyl-N-{[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methyl}pyrimidine-5-carboxamide
• IUPAC Traditional name: 4-hydroxy-2-methyl-N-{[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl}pyrimidine-5-carboxamide
• Synonyms: 4-hydroxy-2-methyl-N-{[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methyl}pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.947475
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.3211404
• LogD (pH = 7.4): 1.321159
• Log P: 1.3212804
• Molar Refractivity: 88.4311 cm^3
• Polarizability: 28.689949 Å^3
• Polar Surface Area: 92.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.04
• LOG S: -2.64
• Polar Surface Area: 92.93 Å^2
• Rotatable Bonds: 5