4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine

C12H9Cl2FN2 — CID 114488346

IUPAC4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine
SMILESCCc1cc(Cl)nc(-c2cccc(Cl)c2F)n1
InChIInChI=1S/C12H9Cl2FN2/c1-2-7-6-10(14)17-12(16-7)8-4-3-5-9(13)11(8)15/h3-6H,2H2,1H3
InChIKeyVCBNJDDEOJCUCC-UHFFFAOYSA-N
MW271.12 g/mol
LogP4.15
Rot. Bonds2

About 4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine

4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine (PubChem CID 114488346) has the molecular formula C12H9Cl2FN2 and a molecular weight of 271.12 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine
PubChem CID114488346
Molecular FormulaC12H9Cl2FN2
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine
SMILESCCc1cc(Cl)nc(-c2cccc(Cl)c2F)n1
InChIInChI=1S/C12H9Cl2FN2/c1-2-7-6-10(14)17-12(16-7)8-4-3-5-9(13)11(8)15/h3-6H,2H2,1H3
InChIKeyVCBNJDDEOJCUCC-UHFFFAOYSA-N
XLogP4.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-ethyl-2-(furan-2-yl)pyrimidine
CID 43557912
4,6-dichloro-2-(2-ethylphenyl)pyrimidine
CID 63612271
2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
CID 63479494
3-(3-chloro-2-fluorophenyl)-5-propyl-1H-1,2,4-triazole
CID 81266297
2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 114488701
2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 114488677
2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine
CID 115380801
8-(4-chloro-6-propylpyrimidin-2-yl)quinoline
CID 63969297
6-tert-butyl-2-(3-chloro-2-fluorophenyl)-N-methylpyrimidin-4-amine
CID 114488664
5-(3-chloro-2-fluorophenyl)-2H-tetrazole
CID 63034901
4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine
CID 114553959
2-(3-chloro-2-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 114488722

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine?
The IUPAC name of 4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine (CID 114488346) is 4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine?
The canonical SMILES for 4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine is CCc1cc(Cl)nc(-c2cccc(Cl)c2F)n1.
What is the InChIKey of 4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine?
The InChIKey is VCBNJDDEOJCUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2/c1-2-7-6-10(14)17-12(16-7)8-4-3-5-9(13)11(8)15/h3-6H,2H2,1H3.
What are the key properties of 4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine?
4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine has a molecular weight of 271.12 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine is sourced from PubChem (CID 114488346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).