4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine

C7H7Cl2FN2O2S — CID 116633050

IUPAC4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine
SMILESCC(c1nc(Cl)c(F)c(Cl)n1)S(C)(=O)=O
InChIInChI=1S/C7H7Cl2FN2O2S/c1-3(15(2,13)14)7-11-5(8)4(10)6(9)12-7/h3H,1-2H3
InChIKeyAKDNYUHKVQVFGH-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.03
Rot. Bonds2

About 4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine

4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine (PubChem CID 116633050) has the molecular formula C7H7Cl2FN2O2S and a molecular weight of 273.12 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine
PubChem CID116633050
Molecular FormulaC7H7Cl2FN2O2S
Molecular Weight273.12 g/mol
Exact Mass271.96
IUPAC Name4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine
SMILESCC(c1nc(Cl)c(F)c(Cl)n1)S(C)(=O)=O
InChIInChI=1S/C7H7Cl2FN2O2S/c1-3(15(2,13)14)7-11-5(8)4(10)6(9)12-7/h3H,1-2H3
InChIKeyAKDNYUHKVQVFGH-UHFFFAOYSA-N
XLogP2.03
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine
CID 79033231
4,6-dichloro-5-(2-fluorophenyl)-2-(1-methylsulfonylethyl)pyrimidine
CID 116633044
4,6-dichloro-2-(1-methylsulfonylethyl)-5-phenylpyrimidine
CID 116633013
4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine
CID 116706694
4-chloro-2-(1-chloroethyl)-5-fluoro-6-methylpyrimidine
CID 80663151
5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine
CID 116633219
4-chloro-2-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylpyrimidine
CID 130506952
6-ethyl-5-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine
CID 116633207
5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine
CID 116633220
2-tert-butyl-4,6-dichloro-5-fluoropyrimidine
CID 79033233
5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine
CID 126560646
3-[4,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-5-yl]-2-methylpropanoic acid
CID 116633068

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine (CID 116633050) is 4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine is CC(c1nc(Cl)c(F)c(Cl)n1)S(C)(=O)=O.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine?
The InChIKey is AKDNYUHKVQVFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2FN2O2S/c1-3(15(2,13)14)7-11-5(8)4(10)6(9)12-7/h3H,1-2H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine has a molecular weight of 273.12 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine is sourced from PubChem (CID 116633050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).