cyclopentyl(pyrimidin-2-yl)methanol

• ChemBase ID: 238314
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: c1(C(C2CCCC2)O)ncccn1
• Canonical SMILES: OC(c1ncccn1)C1CCCC1
• InChI: InChI=1S/C10H14N2O/c13-9(8-4-1-2-5-8)10-11-6-3-7-12-10/h3,6-9,13H,1-2,4-5H2
• InChIKey: MFJHDKZTIXMIBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12153777
• PubChem SID: 164294224
• PubChem CID: 19892757

CALCULATED PROPERTIES

• Acid pKa: 12.959081
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5209081
• LogD (pH = 7.4): 1.520922
• Log P: 1.5209233
• Molar Refractivity: 49.9382 cm^3
• Polarizability: 19.474548 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.521

Product Information

• Purity: 95%