N-{[1-(morpholin-4-yl)cyclopentyl]methyl}pyrimidin-4-amine

• ChemBase ID: 437462
• Molecular Formular: C14H22N4O
• Molecular Mass: 262.35068
• Monoisotopic Mass: 262.17936134
• SMILES: N1(C2(CNc3ncncc3)CCCC2)CCOCC1
• Canonical SMILES: O1CCN(CC1)C1(CCCC1)CNc1ccncn1
• InChI: InChI=1S/C14H22N4O/c1-2-5-14(4-1,18-7-9-19-10-8-18)11-16-13-3-6-15-12-17-13/h3,6,12H,1-2,4-5,7-11H2,(H,15,16,17)
• InChIKey: LBQAYCBHYWDFHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(morpholin-4-yl)cyclopentyl]methyl}pyrimidin-4-amine
• IUPAC Traditional name: N-{[1-(morpholin-4-yl)cyclopentyl]methyl}pyrimidin-4-amine
• Synonyms: N-[(1-morpholin-4-ylcyclopentyl)methyl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.399244
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.74389505
• LogD (pH = 7.4): 0.9201516
• Log P: 1.1955857
• Molar Refractivity: 76.626 cm^3
• Polarizability: 28.85186 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.26
• LOG S: -0.25
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 4