2-chloro-N-ethylpyrimidin-4-amine

• ChemBase ID: 143796
• Molecular Formular: C6H8ClN3
• Molecular Mass: 157.60082
• Monoisotopic Mass: 157.04067495
• SMILES: CCNc1ccnc(n1)Cl
• Canonical SMILES: CCNc1ccnc(n1)Cl
• InChI: InChI=1S/C6H8ClN3/c1-2-8-5-3-4-9-6(7)10-5/h3-4H,2H2,1H3,(H,8,9,10)
• InChIKey: CQIZRQZZERNHGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-ethylpyrimidin-4-amine
• IUPAC Traditional name: 2-chloro-N-ethylpyrimidin-4-amine
• Synonyms: 2-Chloro-N-ethylpyrimidin-4-amine; 2-chloro-N-ethylpyrimidin-4-amine

Database IDs

• CAS Number: 86443-51-8
• MDL Number: MFCD09055369
• PubChem SID: 162238013
• PubChem CID: 23027192

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3816857
• LogD (pH = 7.4): 1.3823214
• Log P: 1.3823295
• Molar Refractivity: 43.4768 cm^3
• Polarizability: 15.387929 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C6H8ClN3

DETAILS

Sigma Aldrich - CBR00491

Other Notes
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Legal Information
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