6-cyclopropyl-2-methylpyrimidin-4-amine

• ChemBase ID: 240422
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: c1(nc(nc(c1)N)C)C1CC1
• Canonical SMILES: Nc1cc(nc(n1)C)C1CC1
• InChI: InChI=1S/C8H11N3/c1-5-10-7(6-2-3-6)4-8(9)11-5/h4,6H,2-3H2,1H3,(H2,9,10,11)
• InChIKey: TXJQTGKSJVQERW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-cyclopropyl-2-methylpyrimidin-4-amine
• IUPAC Traditional name: 6-cyclopropyl-2-methylpyrimidin-4-amine
• Synonyms: 6-cyclopropyl-2-methylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD12032929
• PubChem SID: 164296332
• PubChem CID: 45788113

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.0016206015
• LogD (pH = 7.4): 1.2133774
• Log P: 1.3163099
• Molar Refractivity: 44.3513 cm^3
• Polarizability: 16.155647 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): 1.118

Product Information

• Purity: 95%