trimethylpyrimidin-2-amine

• ChemBase ID: 120877
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: c1(nc(c(c(n1)C)C)C)N
• Canonical SMILES: Nc1nc(C)c(c(n1)C)C
• InChI: InChI=1S/C7H11N3/c1-4-5(2)9-7(8)10-6(4)3/h1-3H3,(H2,8,9,10)
• InChIKey: PGKDWIZGAJVLNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 54568-11-5
• MDL Number: MFCD08720546
• PubChem SID: 162215230
• PubChem CID: 12250862

CALCULATED PROPERTIES

• Acid pKa: 17.777164
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5199038
• LogD (pH = 7.4): 0.6733916
• Log P: 0.6757572
• Molar Refractivity: 41.5929 cm^3
• Polarizability: 14.968806 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H11N3

DETAILS

Sigma Aldrich - CBR00277

Other Notes
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Legal Information
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