5-(aminomethyl)-N,N-dimethylpyrimidin-2-amine

• ChemBase ID: 806683
• Molecular Formular: C7H12N4
• Molecular Mass: 152.19698
• Monoisotopic Mass: 152.1061964
• SMILES: c1(cnc(nc1)N(C)C)CN
• Canonical SMILES: NCc1cnc(nc1)N(C)C
• InChI: InChI=1S/C7H12N4/c1-11(2)7-9-4-6(3-8)5-10-7/h4-5H,3,8H2,1-2H3
• InChIKey: UNESATFQYMYWAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)-N,N-dimethylpyrimidin-2-amine
• IUPAC Traditional name: 5-(aminomethyl)-N,N-dimethylpyrimidin-2-amine
• Synonyms: 5-(AMINOMETHYL)-N,N-DIMETHYLPYRIMIDIN-2-AMINE

Database IDs

• CAS Number: 910380-79-9

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.937967
• LogD (pH = 7.4): -1.6128716
• Log P: -0.037666228
• Molar Refractivity: 45.5703 cm^3
• Polarizability: 16.723625 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%