methyl[(2-methylpyrimidin-5-yl)methyl]amine

• ChemBase ID: 289491
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: CNCc1cnc(C)nc1
• Canonical SMILES: CNCc1cnc(nc1)C
• InChI: InChI=1S/C7H11N3/c1-6-9-4-7(3-8-2)5-10-6/h4-5,8H,3H2,1-2H3
• InChIKey: MKXZINXDIQPONN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2-methylpyrimidin-5-yl)methyl]amine
• IUPAC Traditional name: methyl[(2-methylpyrimidin-5-yl)methyl]amine
• Synonyms: N-Methyl-1-(2-methylpyrimidin-5-yl)methanamine; N-methyl(2-methylpyrimidin-5-yl)methanamine

Database IDs

• CAS Number: 1248406-79-2
• MDL Number: MFCD16665333
• PubChem SID: 180675022
• PubChem CID: 22929643

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.020177
• LogD (pH = 7.4): -1.4603277
• Log P: 0.078747824
• Molar Refractivity: 40.5947 cm^3
• Polarizability: 15.507624 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%