4,6-dichloro-5-fluoro-2-(methylsulfonylmethyl)pyrimidine

C6H5Cl2FN2O2S — CID 80550412

IUPAC4,6-dichloro-5-fluoro-2-(methylsulfonylmethyl)pyrimidine
SMILESCS(=O)(=O)Cc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C6H5Cl2FN2O2S/c1-14(12,13)2-3-10-5(7)4(9)6(8)11-3/h2H2,1H3
InChIKeyMZKRPWLXXRQSOQ-UHFFFAOYSA-N
MW259.09 g/mol
LogP1.47
Rot. Bonds2

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

4,6-dichloro-5-fluoro-2-(methylsulfonylmethyl)pyrimidine (PubChem CID 80550412) has the molecular formula C6H5Cl2FN2O2S and a molecular weight of 259.09 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(methylsulfonylmethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(methylsulfonylmethyl)pyrimidine
PubChem CID80550412
Molecular FormulaC6H5Cl2FN2O2S
Molecular Weight259.09 g/mol
Exact Mass257.94
IUPAC Name4,6-dichloro-5-fluoro-2-(methylsulfonylmethyl)pyrimidine
SMILESCS(=O)(=O)Cc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C6H5Cl2FN2O2S/c1-14(12,13)2-3-10-5(7)4(9)6(8)11-3/h2H2,1H3
InChIKeyMZKRPWLXXRQSOQ-UHFFFAOYSA-N
XLogP1.47
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Dichloro-2-(methanesulfonylmethyl)pyrimidine
CID 58137114
4,6-Dichloro-5-fluoro-2-methanesulfonylpyrimidine
CID 86616257
4,6-Difluoro-2-methyl-5-methylsulfonylpyrimidine
CID 20481927
2-Chloro-5-ethylsulfonyl-4,6-difluoropyrimidine
CID 22158540
2,4-Dichloro-6-fluoro-5-methylsulfonylpyrimidine
CID 22158572
N-(2,6-dichloro-5-fluoro-pyrimidin-4-yl)-N-methyl-methanesulfonamide
CID 86624844
N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide
CID 91341730
(4,6-Dichloro-5-fluoropyrimidin-2-yl) methanesulfonate
CID 122590224
(4,6-Dichloro-5-fluoropyrimidin-2-yl)methanesulfinate
CID 174763356
4-(2,6-Dichloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 71615502
4,6-Dichloro-5-fluoro-2-(methylsulfanylmethyl)pyrimidine
CID 80550183
4,6-Dichloro-5-fluoro-2-(propylsulfanylmethyl)pyrimidine
CID 80550189

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(methylsulfonylmethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(methylsulfonylmethyl)pyrimidine (CID 80550412) is 4,6-dichloro-5-fluoro-2-(methylsulfonylmethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(methylsulfonylmethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(methylsulfonylmethyl)pyrimidine is CS(=O)(=O)Cc1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(methylsulfonylmethyl)pyrimidine?
The InChIKey is MZKRPWLXXRQSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2FN2O2S/c1-14(12,13)2-3-10-5(7)4(9)6(8)11-3/h2H2,1H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(methylsulfonylmethyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(methylsulfonylmethyl)pyrimidine has a molecular weight of 259.09 g/mol, XLogP of 1.47, 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-(methylsulfonylmethyl)pyrimidine is sourced from PubChem (CID 80550412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).