(4-cyclopropylpyrimidin-2-yl)methanamine

• ChemBase ID: 803826
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: C(N)c1nc(ccn1)C1CC1
• Canonical SMILES: NCc1nccc(n1)C1CC1
• InChI: InChI=1S/C8H11N3/c9-5-8-10-4-3-7(11-8)6-1-2-6/h3-4,6H,1-2,5,9H2
• InChIKey: XFOHQQWTJFRLEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-cyclopropylpyrimidin-2-yl)methanamine
• IUPAC Traditional name: (4-cyclopropylpyrimidin-2-yl)methanamine
• Synonyms: (4-CYCLOPROPYLPYRIMIDIN-2-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6189302
• LogD (pH = 7.4): 0.072203256
• Log P: 0.5611546
• Molar Refractivity: 42.6971 cm^3
• Polarizability: 16.618977 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%