N-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxamide

• ChemBase ID: 185744
• Molecular Formular: C16H23N3O
• Molecular Mass: 273.37332
• Monoisotopic Mass: 273.18411237
• SMILES: C1(C(C1C(=O)Nc1nc(cc(n1)C)C)C=C(C)C)(C)C
• Canonical SMILES: CC(=CC1C(C1(C)C)C(=O)Nc1nc(C)cc(n1)C)C
• InChI: InChI=1S/C16H23N3O/c1-9(2)7-12-13(16(12,5)6)14(20)19-15-17-10(3)8-11(4)18-15/h7-8,12-13H,1-6H3,(H,17,18,19,20)
• InChIKey: NELGTHOYYHGRPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxamide
• IUPAC Traditional name: N-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxamide

Database IDs

• PubChem SID: 164241654
• PubChem CID: 3301394

CALCULATED PROPERTIES

• Acid pKa: 11.97554
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6529257
• LogD (pH = 7.4): 2.6534133
• Log P: 2.6534307
• Molar Refractivity: 82.2864 cm^3
• Polarizability: 30.713425 Å^3
• Polar Surface Area: 54.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Tautomers, Stereoisomer
• Classification: Derivatives & analogs of Natural Compounds