2,4-dichloro-6-ethyl-5-fluoropyrimidine

C6H5Cl2FN2 — CID 22323353

IUPAC2,4-dichloro-6-ethyl-5-fluoropyrimidine
SMILESCCc1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C6H5Cl2FN2/c1-2-3-4(9)5(7)11-6(8)10-3/h2H2,1H3
InChIKeyVOLSXIRVBOETBC-UHFFFAOYSA-N
MW195.02 g/mol
LogP2.48
Rot. Bonds1

About 2,4-dichloro-6-ethyl-5-fluoropyrimidine

2,4-dichloro-6-ethyl-5-fluoropyrimidine (PubChem CID 22323353) has the molecular formula C6H5Cl2FN2 and a molecular weight of 195.02 g/mol. Its IUPAC name is 2,4-dichloro-6-ethyl-5-fluoropyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-ethyl-5-fluoropyrimidine
PubChem CID22323353
Molecular FormulaC6H5Cl2FN2
Molecular Weight195.02 g/mol
Exact Mass193.98
IUPAC Name2,4-dichloro-6-ethyl-5-fluoropyrimidine
SMILESCCc1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C6H5Cl2FN2/c1-2-3-4(9)5(7)11-6(8)10-3/h2H2,1H3
InChIKeyVOLSXIRVBOETBC-UHFFFAOYSA-N
XLogP2.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.02
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dichloro-5-(2-chloroethyl)-6-methylpyrimidine
CID 600353
2,5-Dichloro-4,6-dimethylpyrimidine
CID 13880911
4,5-Dichloro-6-ethylpyrimidine
CID 11137668
4-Chloro-6-ethyl-5-fluoropyrimidine
CID 16743445
2,4,5-Trichloro-6-ethylpyrimidine
CID 246015
2,4-Dichloro-6-(propan-2-yl)pyrimidine
CID 246012
5-Chloro-4,6-dimethylpyrimidin-2-amine
CID 347095
2,4-Dichloro-6-ethylpyrimidine
CID 246010
4-(1-Bromoethyl)-6-chloro-5-fluoropyrimidine
CID 10911633
4-Chloro-6-Ethyl-2-Methylpyrimidine
CID 13153403
2-Amino-4-chloro-6-ethylpyrimidine
CID 22324304
2,4-Dichloro-5-fluoro-6-methylpyrimidine
CID 24903513

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-ethyl-5-fluoropyrimidine?
The IUPAC name of 2,4-dichloro-6-ethyl-5-fluoropyrimidine (CID 22323353) is 2,4-dichloro-6-ethyl-5-fluoropyrimidine.
What is the SMILES notation for 2,4-dichloro-6-ethyl-5-fluoropyrimidine?
The canonical SMILES for 2,4-dichloro-6-ethyl-5-fluoropyrimidine is CCc1nc(Cl)nc(Cl)c1F.
What is the InChIKey of 2,4-dichloro-6-ethyl-5-fluoropyrimidine?
The InChIKey is VOLSXIRVBOETBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2FN2/c1-2-3-4(9)5(7)11-6(8)10-3/h2H2,1H3.
What are the key properties of 2,4-dichloro-6-ethyl-5-fluoropyrimidine?
2,4-dichloro-6-ethyl-5-fluoropyrimidine has a molecular weight of 195.02 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-ethyl-5-fluoropyrimidine is sourced from PubChem (CID 22323353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).