4,6-dichloro-N,N,5-trimethylpyrimidin-2-amine

• ChemBase ID: 242713
• Molecular Formular: C7H9Cl2N3
• Molecular Mass: 206.07246
• Monoisotopic Mass: 205.01735266
• SMILES: n1c(nc(c(c1Cl)C)Cl)N(C)C
• Canonical SMILES: CN(c1nc(Cl)c(c(n1)Cl)C)C
• InChI: InChI=1S/C7H9Cl2N3/c1-4-5(8)10-7(12(2)3)11-6(4)9/h1-3H3
• InChIKey: JYFSQUKOJVZDJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18844077
• PubChem SID: 164298623
• PubChem CID: 12331517

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9984279
• LogD (pH = 7.4): 2.9984305
• Log P: 2.9984305
• Molar Refractivity: 53.8703 cm^3
• Polarizability: 19.089428 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54 - 56°C
• Hydrophobicity(logP): 2.563

Product Information

• Purity: 95%