2,4-dichloro-6-methylpyrimidin-5-amine

• ChemBase ID: 63821
• Molecular Formular: C5H5Cl2N3
• Molecular Mass: 178.0193
• Monoisotopic Mass: 176.98605254
• SMILES: n1c(c(c(nc1Cl)C)N)Cl
• Canonical SMILES: Clc1nc(C)c(c(n1)Cl)N
• InChI: InChI=1S/C5H5Cl2N3/c1-2-3(8)4(6)10-5(7)9-2/h8H2,1H3
• InChIKey: FDMMHWIFYCXEOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-methylpyrimidin-5-amine
• IUPAC Traditional name: 2,4-dichloro-6-methylpyrimidin-5-amine
• Synonyms: 2,4-Dichloro-6-methylpyrimidin-5-amine; 5-Amino-2,4-dichloro-6-methylpyrimidine; 2,4-Dichloro-6-methylpyrimidin-5-amine; 2,4-Dichloro-6-methylpyrimidin-5-ylamine

Database IDs

• CAS Number: 13162-27-1
• MDL Number: MFCD08062586
• PubChem SID: 162029560
• PubChem CID: 14665971

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0849515
• LogD (pH = 7.4): 1.0849519
• Log P: 1.0849519
• Molar Refractivity: 43.3789 cm^3
• Polarizability: 15.505088 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%