2-(2-cyclopropylpyrimidin-5-yl)ethan-1-amine

• ChemBase ID: 243424
• Molecular Formular: C9H13N3
• Molecular Mass: 163.21962
• Monoisotopic Mass: 163.11094743
• SMILES: c1(C2CC2)ncc(cn1)CCN
• Canonical SMILES: NCCc1cnc(nc1)C1CC1
• InChI: InChI=1S/C9H13N3/c10-4-3-7-5-11-9(12-6-7)8-1-2-8/h5-6,8H,1-4,10H2
• InChIKey: UXIICOJHCSNIEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-cyclopropylpyrimidin-5-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-cyclopropylpyrimidin-5-yl)ethanamine
• Synonyms: 2-(2-cyclopropylpyrimidin-5-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD10697337
• PubChem SID: 164299334
• PubChem CID: 62757903

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4883769
• LogD (pH = 7.4): -1.5259506
• Log P: 0.6763436
• Molar Refractivity: 47.9743 cm^3
• Polarizability: 18.38707 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.078

Product Information

• Purity: 95%; 98%