6-ethyl-2-methylpyrimidin-4-amine

• ChemBase ID: 282972
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1c(cc(nc1C)CC)N
• Canonical SMILES: CCc1cc(N)nc(n1)C
• InChI: InChI=1S/C7H11N3/c1-3-6-4-7(8)10-5(2)9-6/h4H,3H2,1-2H3,(H2,8,9,10)
• InChIKey: ZFZGZMGKKUHSTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-2-methylpyrimidin-4-amine
• IUPAC Traditional name: 6-ethyl-2-methylpyrimidin-4-amine
• Synonyms: 6-ethyl-2-methylpyrimidin-4-amine

Database IDs

• CAS Number: 90008-43-8
• MDL Number: MFCD09909802
• PubChem SID: 180668503
• PubChem CID: 256702

CALCULATED PROPERTIES

• LogD (pH = 5.5): -0.28008032
• LogD (pH = 7.4): 1.0821266
• Log P: 1.2500827
• Molar Refractivity: 41.579 cm^3
• Polarizability: 15.0421715 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 1.203

Product Information

• Purity: 95%; 98%