[2-(propan-2-yl)pyrimidin-5-yl]methanamine

• ChemBase ID: 803612
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: C(N)c1cnc(nc1)C(C)C
• Canonical SMILES: NCc1cnc(nc1)C(C)C
• InChI: InChI=1S/C8H13N3/c1-6(2)8-10-4-7(3-9)5-11-8/h4-6H,3,9H2,1-2H3
• InChIKey: JNKBUCYGSZEIMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(propan-2-yl)pyrimidin-5-yl]methanamine
• IUPAC Traditional name: (2-isopropylpyrimidin-5-yl)methanamine
• Synonyms: 1-(2-ISOPROPYLPYRIMIDIN-5-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.11964
• LogD (pH = 7.4): -0.62452507
• Log P: 0.87247837
• Molar Refractivity: 45.0215 cm^3
• Polarizability: 17.350105 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%