4-ethyl-5-methylpyrimidin-2-amine

• ChemBase ID: 309190
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1c(ncc(c1CC)C)N
• Canonical SMILES: CCc1nc(N)ncc1C
• InChI: InChI=1S/C7H11N3/c1-3-6-5(2)4-9-7(8)10-6/h4H,3H2,1-2H3,(H2,8,9,10)
• InChIKey: WLKFMZZMUUZSOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-5-methylpyrimidin-2-amine
• IUPAC Traditional name: 4-ethyl-5-methylpyrimidin-2-amine
• Synonyms: 4-ethyl-5-methyl-2-pyrimidinamine

Database IDs

• CAS Number: 35733-54-1
• MDL Number: MFCD18361687

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.223902
• LogD (pH = 7.4): 1.2446514
• Log P: 1.2449229
• Molar Refractivity: 41.6283 cm^3
• Polarizability: 15.0457945 Å^3
• Polar Surface Area: 51.8 Å^2