cyclopentyl(pyrimidin-2-yl)methanamine

• ChemBase ID: 285390
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: c1(C(C2CCCC2)N)ncccn1
• Canonical SMILES: NC(c1ncccn1)C1CCCC1
• InChI: InChI=1S/C10H15N3/c11-9(8-4-1-2-5-8)10-12-6-3-7-13-10/h3,6-9H,1-2,4-5,11H2
• InChIKey: PUGOQJSBCMWTQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl(pyrimidin-2-yl)methanamine
• IUPAC Traditional name: cyclopentyl(pyrimidin-2-yl)methanamine
• Synonyms: cyclopentyl(pyrimidin-2-yl)methanamine

Database IDs

• MDL Number: MFCD12154147
• PubChem SID: 180670921
• PubChem CID: 56828355

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0790224
• LogD (pH = 7.4): 0.6499963
• Log P: 1.4138792
• Molar Refractivity: 51.5957 cm^3
• Polarizability: 20.384872 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.511

Product Information

• Purity: 95%