2-(dimethylamino)-N,4-dimethyl-N-[2-(1H-pyrazol-1-yl)ethyl]pyrimidine-5-carboxamide

• ChemBase ID: 551501
• Molecular Formular: C14H20N6O
• Molecular Mass: 288.3482
• Monoisotopic Mass: 288.16985929
• SMILES: c1(C(=O)N(CCn2nccc2)C)c(nc(nc1)N(C)C)C
• Canonical SMILES: CN(C(=O)c1cnc(nc1C)N(C)C)CCn1cccn1
• InChI: InChI=1S/C14H20N6O/c1-11-12(10-15-14(17-11)18(2)3)13(21)19(4)8-9-20-7-5-6-16-20/h5-7,10H,8-9H2,1-4H3
• InChIKey: HRLXRALTGRTDIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N,4-dimethyl-N-[2-(1H-pyrazol-1-yl)ethyl]pyrimidine-5-carboxamide
• IUPAC Traditional name: 2-(dimethylamino)-N,4-dimethyl-N-[2-(pyrazol-1-yl)ethyl]pyrimidine-5-carboxamide
• Synonyms: 2-(dimethylamino)-N,4-dimethyl-N-[2-(1H-pyrazol-1-yl)ethyl]pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Log P: 0.49550885
• Molar Refractivity: 93.5526 cm^3
• Polarizability: 29.915752 Å^3
• Polar Surface Area: 67.15 Å^2
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.494404
• LogD (pH = 7.4): 0.49549493

供应商提供(Chembridge)

• Rotatable Bonds: 5
• Log P: 0.55
• LOG S: -1.77
• Polar Surface Area: 67.15 Å^2
• H Acceptors: 4
• H Donor: 0