4-chloro-5,6-dimethylpyrimidin-2-amine

• ChemBase ID: 16786
• Molecular Formular: C6H8ClN3
• Molecular Mass: 157.60082
• Monoisotopic Mass: 157.04067495
• SMILES: c1(c(nc(nc1Cl)N)C)C
• Canonical SMILES: Nc1nc(C)c(c(n1)Cl)C
• InChI: InChI=1S/C6H8ClN3/c1-3-4(2)9-6(8)10-5(3)7/h1-2H3,(H2,8,9,10)
• InChIKey: RRMVDLLCVGZDMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5,6-dimethylpyrimidin-2-amine
• IUPAC Traditional name: 4-chloro-5,6-dimethylpyrimidin-2-amine
• Synonyms: 4-Chloro-5,6-dimethylpyrimidin-2-amine; 2-Amino-4-chloro-5,6-dimethylpyrimidine; 4-Chloro-5,6-dimethyl-pyrimidin-2-ylamine; 2-氨基-4-氯-5,6-二甲基嘧啶

Database IDs

• CAS Number: 14394-61-7
• MDL Number: MFCD00462111
• PubChem SID: 160980093
• PubChem CID: 248655

CALCULATED PROPERTIES

• Acid pKa: 17.193724
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3572844
• LogD (pH = 7.4): 1.3684645
• Log P: 1.368609
• Molar Refractivity: 42.8675 cm^3
• Polarizability: 15.184252 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%