N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide

• ChemBase ID: 530714
• Molecular Formular: C21H25N5O
• Molecular Mass: 363.4561
• Monoisotopic Mass: 363.20591045
• SMILES: c1(nc2n(c1)cccn2)C(=O)N(CCc1ccccc1)C1CCN(CC1)C
• Canonical SMILES: CN1CCC(CC1)N(C(=O)c1cn2c(n1)nccc2)CCc1ccccc1
• InChI: InChI=1S/C21H25N5O/c1-24-13-9-18(10-14-24)26(15-8-17-6-3-2-4-7-17)20(27)19-16-25-12-5-11-22-21(25)23-19/h2-7,11-12,16,18H,8-10,13-15H2,1H3
• InChIKey: BSDOGBUXHUGAJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
• Synonyms: N-(1-methyl-4-piperidinyl)-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2387902
• LogD (pH = 7.4): 0.5287057
• Log P: 1.5310781
• Molar Refractivity: 108.1081 cm^3
• Polarizability: 40.37234 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.82
• LOG S: -3.4
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 5