[4-(4-cyclopentylpyrimidin-2-yl)morpholin-2-yl]methanamine

• ChemBase ID: 609508
• Molecular Formular: C14H22N4O
• Molecular Mass: 262.35068
• Monoisotopic Mass: 262.17936134
• SMILES: c1(nc(C2CCCC2)ccn1)N1CC(OCC1)CN
• Canonical SMILES: NCC1OCCN(C1)c1nccc(n1)C1CCCC1
• InChI: InChI=1S/C14H22N4O/c15-9-12-10-18(7-8-19-12)14-16-6-5-13(17-14)11-3-1-2-4-11/h5-6,11-12H,1-4,7-10,15H2
• InChIKey: NVQDPHNJBDLEJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(4-cyclopentylpyrimidin-2-yl)morpholin-2-yl]methanamine
• IUPAC Traditional name: [4-(4-cyclopentylpyrimidin-2-yl)morpholin-2-yl]methanamine
• Synonyms: 1-[4-(4-cyclopentylpyrimidin-2-yl)morpholin-2-yl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.2545997
• LogD (pH = 7.4): -0.0011803339
• Log P: 1.6811519
• Molar Refractivity: 74.9841 cm^3
• Polarizability: 28.777063 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.8
• LOG S: -1.64
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 3