4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine

C12H9ClF2N2 — CID 80936304

IUPAC4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(-c2cc(F)ccc2F)n1
InChIInChI=1S/C12H9ClF2N2/c1-2-12-16-10(6-11(13)17-12)8-5-7(14)3-4-9(8)15/h3-6H,2H2,1H3
InChIKeyJILLAGCWLAAUMG-UHFFFAOYSA-N
MW254.67 g/mol
LogP3.64
Rot. Bonds2

About 4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine

4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine (PubChem CID 80936304) has the molecular formula C12H9ClF2N2 and a molecular weight of 254.67 g/mol. Its IUPAC name is 4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine
PubChem CID80936304
Molecular FormulaC12H9ClF2N2
Molecular Weight254.67 g/mol
Exact Mass254.04
IUPAC Name4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(-c2cc(F)ccc2F)n1
InChIInChI=1S/C12H9ClF2N2/c1-2-12-16-10(6-11(13)17-12)8-5-7(14)3-4-9(8)15/h3-6H,2H2,1H3
InChIKeyJILLAGCWLAAUMG-UHFFFAOYSA-N
XLogP3.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine
CID 80936764
4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine
CID 80945263
4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine
CID 113401165
4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine
CID 80936131
4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
CID 80935852
4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80936661
1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine
CID 116892415
6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935782
4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine
CID 80936573
2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine
CID 80936143
4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine
CID 80936399
4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine
CID 80936220

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine?
The IUPAC name of 4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine (CID 80936304) is 4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine is CCc1nc(Cl)cc(-c2cc(F)ccc2F)n1.
What is the InChIKey of 4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine?
The InChIKey is JILLAGCWLAAUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2/c1-2-12-16-10(6-11(13)17-12)8-5-7(14)3-4-9(8)15/h3-6H,2H2,1H3.
What are the key properties of 4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine?
4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine has a molecular weight of 254.67 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine is sourced from PubChem (CID 80936304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).