N-(2-{4-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}ethyl)-3-(1-methylpiperidin-2-yl)propanamide

• ChemBase ID: 316745
• Molecular Formular: C19H30N4O
• Molecular Mass: 330.4677
• Monoisotopic Mass: 330.2419616
• SMILES: n1c(nc(c2c1CCC2)C)CCNC(=O)CCC1N(C)CCCC1
• Canonical SMILES: O=C(CCC1CCCCN1C)NCCc1nc(C)c2c(n1)CCC2
• InChI: InChI=1S/C19H30N4O/c1-14-16-7-5-8-17(16)22-18(21-14)11-12-20-19(24)10-9-15-6-3-4-13-23(15)2/h15H,3-13H2,1-2H3,(H,20,24)
• InChIKey: LYSOTYSMAJDLJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{4-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}ethyl)-3-(1-methylpiperidin-2-yl)propanamide
• IUPAC Traditional name: N-(2-{4-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}ethyl)-3-(1-methylpiperidin-2-yl)propanamide
• Synonyms: N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-(1-methyl-2-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.715064
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4869872
• LogD (pH = 7.4): -0.11078257
• Log P: 2.0046215
• Molar Refractivity: 96.5941 cm^3
• Polarizability: 37.20399 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.93
• LOG S: -3.26
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 6