1-(4-methylpyrimidin-2-yl)ethan-1-amine

• ChemBase ID: 802000
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: C(C)(N)c1nc(ccn1)C
• Canonical SMILES: Cc1ccnc(n1)C(N)C
• InChI: InChI=1S/C7H11N3/c1-5-3-4-9-7(10-5)6(2)8/h3-4,6H,8H2,1-2H3
• InChIKey: SSYSTZPVHCQERL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methylpyrimidin-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(4-methylpyrimidin-2-yl)ethanamine
• Synonyms: 1-(4-METHYLPYRIMIDIN-2-YL)ETHAN-1-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.024555
• LogD (pH = 7.4): -0.29809248
• Log P: 0.37045324
• Molar Refractivity: 39.7918 cm^3
• Polarizability: 15.507579 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%