2,4-dichloro-5-fluoro-6-methylsulfanylpyrimidine

C5H3Cl2FN2S — CID 155784193

IUPAC2,4-dichloro-5-fluoro-6-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C5H3Cl2FN2S/c1-11-4-2(8)3(6)9-5(7)10-4/h1H3
InChIKeyKLWMQGAJXHDIEJ-UHFFFAOYSA-N
MW213.06 g/mol
LogP2.64
Rot. Bonds1

About 2,4-dichloro-5-fluoro-6-methylsulfanylpyrimidine

2,4-dichloro-5-fluoro-6-methylsulfanylpyrimidine (PubChem CID 155784193) has the molecular formula C5H3Cl2FN2S and a molecular weight of 213.06 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-6-methylsulfanylpyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-6-methylsulfanylpyrimidine
PubChem CID155784193
Molecular FormulaC5H3Cl2FN2S
Molecular Weight213.06 g/mol
Exact Mass211.94
IUPAC Name2,4-dichloro-5-fluoro-6-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C5H3Cl2FN2S/c1-11-4-2(8)3(6)9-5(7)10-4/h1H3
InChIKeyKLWMQGAJXHDIEJ-UHFFFAOYSA-N
XLogP2.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.06
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dichloro-6-(methylsulfanyl)pyrimidine
CID 19693883
4-Chloro-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
CID 507187
4,6-Dichloro-5-fluoro-2-(methylsulfanyl)pyrimidine
CID 22378277
4,6-Dichloro-5-iodo-2-(methylsulfanyl)pyrimidine
CID 59405055
2,4,6-Trichloro-5-(trifluoromethylsulfanyl)pyrimidine
CID 21794026
2,4,6-Trichloro-5-methylsulfanyl-pyrimidine
CID 12225544
5-Chloro-2,4-difluoro-6-methylsulfonylpyrimidine
CID 57320888
2,4-Dichloro-5-fluoro-6-methylsulfonylpyrimidine
CID 88684757
4-Chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile
CID 90344226
5-Chloro-4,6-difluoro-2-methylsulfanylpyrimidine
CID 118554469
5-Chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine
CID 123146729
8-Chloro-7-fluoro-2,4-dithia-6,9-diazabicyclo[3.3.1]nona-1(9),5,7-triene
CID 126709826

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-6-methylsulfanylpyrimidine?
The IUPAC name of 2,4-dichloro-5-fluoro-6-methylsulfanylpyrimidine (CID 155784193) is 2,4-dichloro-5-fluoro-6-methylsulfanylpyrimidine.
What is the SMILES notation for 2,4-dichloro-5-fluoro-6-methylsulfanylpyrimidine?
The canonical SMILES for 2,4-dichloro-5-fluoro-6-methylsulfanylpyrimidine is CSc1nc(Cl)nc(Cl)c1F.
What is the InChIKey of 2,4-dichloro-5-fluoro-6-methylsulfanylpyrimidine?
The InChIKey is KLWMQGAJXHDIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2FN2S/c1-11-4-2(8)3(6)9-5(7)10-4/h1H3.
What are the key properties of 2,4-dichloro-5-fluoro-6-methylsulfanylpyrimidine?
2,4-dichloro-5-fluoro-6-methylsulfanylpyrimidine has a molecular weight of 213.06 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-6-methylsulfanylpyrimidine is sourced from PubChem (CID 155784193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).