2-chloro-4-methylpyrimidin-5-amine

• ChemBase ID: 70854
• Molecular Formular: C5H6ClN3
• Molecular Mass: 143.57424
• Monoisotopic Mass: 143.02502489
• SMILES: c1(nc(c(cn1)N)C)Cl
• Canonical SMILES: Clc1ncc(c(n1)C)N
• InChI: InChI=1S/C5H6ClN3/c1-3-4(7)2-8-5(6)9-3/h2H,7H2,1H3
• InChIKey: RZAKVHVZRSQZEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-methylpyrimidin-5-amine
• IUPAC Traditional name: 2-chloro-4-methylpyrimidin-5-amine
• Synonyms: 5-Amino-2-chloro-4-methylpyrimidine; 2-Chloro-4-methylpyrimidin-5-amine

Database IDs

• CAS Number: 20090-69-1
• MDL Number: MFCD12923128
• PubChem SID: 162036562
• PubChem CID: 316282

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.26072887
• LogD (pH = 7.4): 0.26073
• Log P: 0.26073003
• Molar Refractivity: 37.5128 cm^3
• Polarizability: 13.480351 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%