2-chloro-N,N,5-trimethylpyrimidin-4-amine

• ChemBase ID: 143795
• Molecular Formular: C7H10ClN3
• Molecular Mass: 171.6274
• Monoisotopic Mass: 171.05632502
• SMILES: Cc1cnc(nc1N(C)C)Cl
• Canonical SMILES: Clc1ncc(c(n1)N(C)C)C
• InChI: InChI=1S/C7H10ClN3/c1-5-4-9-7(8)10-6(5)11(2)3/h4H,1-3H3
• InChIKey: OMPXZZNLSYCISQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N,N,5-trimethylpyrimidin-4-amine
• IUPAC Traditional name: 2-chloro-N,N,5-trimethylpyrimidin-4-amine
• Synonyms: 2-Chloro-N,N,5-trimethylpyrimidin-4-amine; 2-chloro-N,N,5-trimethylpyrimidin-4-amine

Database IDs

• CAS Number: 34171-43-2
• MDL Number: MFCD01689696
• PubChem SID: 162238012
• PubChem CID: 214763

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1738372
• LogD (pH = 7.4): 2.1742039
• Log P: 2.1742086
• Molar Refractivity: 48.0042 cm^3
• Polarizability: 17.141201 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H10ClN3

DETAILS

Sigma Aldrich - CBR00335

Other Notes
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