6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine

C13H13ClFN3 — CID 113324856

IUPAC6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C13H13ClFN3/c1-3-11-12(17-7-18-13(11)16-2)8-4-9(14)6-10(15)5-8/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyXCJSUVNBAWALSF-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.54
Rot. Bonds3

About 6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine

6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 113324856) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID113324856
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C13H13ClFN3/c1-3-11-12(17-7-18-13(11)16-2)8-4-9(14)6-10(15)5-8/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyXCJSUVNBAWALSF-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine (CID 113324856) is 6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1-c1cc(F)cc(Cl)c1.
What is the InChIKey of 6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is XCJSUVNBAWALSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-3-11-12(17-7-18-13(11)16-2)8-4-9(14)6-10(15)5-8/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine?
6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 265.72 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 113324856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).