trimethylpyrimidin-4-amine

• ChemBase ID: 286017
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1c(c(c(nc1C)C)C)N
• Canonical SMILES: Cc1nc(C)c(c(n1)N)C
• InChI: InChI=1S/C7H11N3/c1-4-5(2)9-6(3)10-7(4)8/h1-3H3,(H2,8,9,10)
• InChIKey: HNOWKUQKICEGKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethylpyrimidin-4-amine
• IUPAC Traditional name: trimethylpyrimidin-4-amine
• Synonyms: 2,5,6-trimethylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD16147189
• PubChem SID: 180671548
• PubChem CID: 61949943

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.37657407
• LogD (pH = 7.4): 0.95302546
• Log P: 1.1009196
• Molar Refractivity: 41.9933 cm^3
• Polarizability: 14.9667015 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 196 - 198°C
• Hydrophobicity(logP): -0.482

Product Information

• Purity: 95%