2-cyclopropylpyrimidin-5-amine

• ChemBase ID: 269761
• Molecular Formular: C7H9N3
• Molecular Mass: 135.16646
• Monoisotopic Mass: 135.0796473
• SMILES: c1(C2CC2)ncc(cn1)N
• Canonical SMILES: Nc1cnc(nc1)C1CC1
• InChI: InChI=1S/C7H9N3/c8-6-3-9-7(10-4-6)5-1-2-5/h3-5H,1-2,8H2
• InChIKey: OCOLSCGNKGPGKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylpyrimidin-5-amine
• IUPAC Traditional name: 2-cyclopropylpyrimidin-5-amine
• Synonyms: 2-cyclopropylpyrimidin-5-amine

Database IDs

• MDL Number: MFCD11103237
• PubChem SID: 164325671
• PubChem CID: 43142235

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.48889124
• LogD (pH = 7.4): 0.48920298
• Log P: 0.48920694
• Molar Refractivity: 39.4463 cm^3
• Polarizability: 14.398952 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 0.619

Product Information

• Purity: 95%