4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine

C12H8Cl3FN2 — CID 114453923

IUPAC4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine
SMILESCCc1c(Cl)nc(-c2cc(F)cc(Cl)c2)nc1Cl
InChIInChI=1S/C12H8Cl3FN2/c1-2-9-10(14)17-12(18-11(9)15)6-3-7(13)5-8(16)4-6/h3-5H,2H2,1H3
InChIKeyBKMAFJXYCZDTQV-UHFFFAOYSA-N
MW305.57 g/mol
LogP4.81
Rot. Bonds2

About 4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine

4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine (PubChem CID 114453923) has the molecular formula C12H8Cl3FN2 and a molecular weight of 305.57 g/mol. Its IUPAC name is 4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine
PubChem CID114453923
Molecular FormulaC12H8Cl3FN2
Molecular Weight305.57 g/mol
Exact Mass303.97
IUPAC Name4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine
SMILESCCc1c(Cl)nc(-c2cc(F)cc(Cl)c2)nc1Cl
InChIInChI=1S/C12H8Cl3FN2/c1-2-9-10(14)17-12(18-11(9)15)6-3-7(13)5-8(16)4-6/h3-5H,2H2,1H3
InChIKeyBKMAFJXYCZDTQV-UHFFFAOYSA-N
XLogP4.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.57
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-(3-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine
CID 115504728
6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 115504767
4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 114453916
2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 114454521
4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine
CID 63611306
6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine
CID 113324874
4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine
CID 63612987
6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
CID 113324856
2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine
CID 114454535
6-(3-chloro-5-fluorophenyl)-2-ethylpyrimidin-4-amine
CID 113324875
4,6-dichloro-2-(7-chloro-1,3-benzodioxol-5-yl)-5-ethylpyrimidine
CID 63613158
4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine
CID 104822835

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine (CID 114453923) is 4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine is CCc1c(Cl)nc(-c2cc(F)cc(Cl)c2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine?
The InChIKey is BKMAFJXYCZDTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3FN2/c1-2-9-10(14)17-12(18-11(9)15)6-3-7(13)5-8(16)4-6/h3-5H,2H2,1H3.
What are the key properties of 4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine?
4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine has a molecular weight of 305.57 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine is sourced from PubChem (CID 114453923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).