6-chloro-5-fluoro-2-methylsulfonylpyrimidin-4-amine

C5H5ClFN3O2S — CID 129164603

IUPAC6-chloro-5-fluoro-2-methylsulfonylpyrimidin-4-amine
SMILESCS(=O)(=O)c1nc(N)c(F)c(Cl)n1
InChIInChI=1S/C5H5ClFN3O2S/c1-13(11,12)5-9-3(6)2(7)4(8)10-5/h1H3,(H2,8,9,10)
InChIKeyPENINBLXMANRTE-UHFFFAOYSA-N
MW225.63 g/mol
LogP0.25
Rot. Bonds1

About 6-chloro-5-fluoro-2-methylsulfonylpyrimidin-4-amine

6-chloro-5-fluoro-2-methylsulfonylpyrimidin-4-amine (PubChem CID 129164603) has the molecular formula C5H5ClFN3O2S and a molecular weight of 225.63 g/mol. Its IUPAC name is 6-chloro-5-fluoro-2-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-fluoro-2-methylsulfonylpyrimidin-4-amine
PubChem CID129164603
Molecular FormulaC5H5ClFN3O2S
Molecular Weight225.63 g/mol
Exact Mass224.98
IUPAC Name6-chloro-5-fluoro-2-methylsulfonylpyrimidin-4-amine
SMILESCS(=O)(=O)c1nc(N)c(F)c(Cl)n1
InChIInChI=1S/C5H5ClFN3O2S/c1-13(11,12)5-9-3(6)2(7)4(8)10-5/h1H3,(H2,8,9,10)
InChIKeyPENINBLXMANRTE-UHFFFAOYSA-N
XLogP0.25
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-Dichloro-5-fluoro-2-(methylsulfanyl)pyrimidine
CID 22378277
4,6-Dichloro-5-methyl-2-(methylsulfonyl)pyrimidine
CID 57757768
4,6-Dichloro-5-fluoro-2-methanesulfonylpyrimidine
CID 86616257
5-Bromo-6-chloro-2-methanesulfinylpyrimidin-4-amine
CID 86677016
6-Chloro-5-iodo-2-(methylthio)pyrimidin-4-amine
CID 319467
N-(2,6-dichloro-5-fluoro-pyrimidin-4-yl)-N-methyl-methanesulfonamide
CID 86624844
2,4-Dichloro-5-fluoro-6-methylsulfonylpyrimidine
CID 88684757
N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide
CID 91341730
(4,6-Dichloro-5-fluoropyrimidin-2-yl) methanesulfonate
CID 122590224
6-Chloro-5-fluoro-2-(methylsulfanyl)pyrimidin-4-amine
CID 129164600
4,6-Dichloro-5-fluoro-2-methylsulfonylpyrimidin-1-ium
CID 144633469
N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide
CID 158630401

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-2-methylsulfonylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-fluoro-2-methylsulfonylpyrimidin-4-amine (CID 129164603) is 6-chloro-5-fluoro-2-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-fluoro-2-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-fluoro-2-methylsulfonylpyrimidin-4-amine is CS(=O)(=O)c1nc(N)c(F)c(Cl)n1.
What is the InChIKey of 6-chloro-5-fluoro-2-methylsulfonylpyrimidin-4-amine?
The InChIKey is PENINBLXMANRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClFN3O2S/c1-13(11,12)5-9-3(6)2(7)4(8)10-5/h1H3,(H2,8,9,10).
What are the key properties of 6-chloro-5-fluoro-2-methylsulfonylpyrimidin-4-amine?
6-chloro-5-fluoro-2-methylsulfonylpyrimidin-4-amine has a molecular weight of 225.63 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-2-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 129164603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).