2-cyclopentylpyrimidin-4-amine

• ChemBase ID: 248707
• Molecular Formular: C9H13N3
• Molecular Mass: 163.21962
• Monoisotopic Mass: 163.11094743
• SMILES: n1c(nccc1N)C1CCCC1
• Canonical SMILES: Nc1ccnc(n1)C1CCCC1
• InChI: InChI=1S/C9H13N3/c10-8-5-6-11-9(12-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,10,11,12)
• InChIKey: AJHXQZJGACQEDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentylpyrimidin-4-amine
• IUPAC Traditional name: 2-cyclopentylpyrimidin-4-amine
• Synonyms: 2-cyclopentylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD12032635
• PubChem SID: 164304617
• PubChem CID: 45787581

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2691184
• LogD (pH = 7.4): 1.9342055
• Log P: 1.9560604
• Molar Refractivity: 48.9618 cm^3
• Polarizability: 18.073587 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.737

Product Information

• Purity: 95%