4,6-dichloro-2-(ethylsulfanylmethyl)-5-fluoropyrimidine

C7H7Cl2FN2S — CID 80550300

IUPAC4,6-dichloro-2-(ethylsulfanylmethyl)-5-fluoropyrimidine
SMILESCCSCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C7H7Cl2FN2S/c1-2-13-3-4-11-6(8)5(10)7(9)12-4/h2-3H2,1H3
InChIKeySUTNBGAYVJHMFK-UHFFFAOYSA-N
MW241.12 g/mol
LogP3.18
Rot. Bonds3

About 4,6-dichloro-2-(ethylsulfanylmethyl)-5-fluoropyrimidine

4,6-dichloro-2-(ethylsulfanylmethyl)-5-fluoropyrimidine (PubChem CID 80550300) has the molecular formula C7H7Cl2FN2S and a molecular weight of 241.12 g/mol. Its IUPAC name is 4,6-dichloro-2-(ethylsulfanylmethyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(ethylsulfanylmethyl)-5-fluoropyrimidine
PubChem CID80550300
Molecular FormulaC7H7Cl2FN2S
Molecular Weight241.12 g/mol
Exact Mass239.97
IUPAC Name4,6-dichloro-2-(ethylsulfanylmethyl)-5-fluoropyrimidine
SMILESCCSCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C7H7Cl2FN2S/c1-2-13-3-4-11-6(8)5(10)7(9)12-4/h2-3H2,1H3
InChIKeySUTNBGAYVJHMFK-UHFFFAOYSA-N
XLogP3.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dichloro-5-fluoro-2-methylpyrimidine
CID 13731033
4,6-Dichloro-5-fluoro-2-(methylsulfanyl)pyrimidine
CID 22378277
4,6-Dichloro-2-ethyl-5-fluoropyrimidine
CID 55264154
6-Chloro-5-fluoro-2-methylpyrimidin-4-amine
CID 55283624
4,6-Dichloro-2-methylpyrimidine-5-carbothialdehyde
CID 129871573
4,6-Dichloro-5-fluoro-2-(fluoromethyl)pyrimidine
CID 58000547
4,6-Dichloro-2-difluoromethyl-5-fluoropyrimidine
CID 58000548
4-Chloro-5-fluoro-6-iodo-2-methylpyrimidine
CID 89185996
4,6-Dichloro-2-(fluoromethyl)-5-methylpyrimidine
CID 89394942
4-Chloro-2-ethyl-6-fluoro-5-methylpyrimidine
CID 143740717
(4-Chloro-6-fluoro-2-methylpyrimidin-5-yl) thiocyanate
CID 164525950
4-Chloro-6-fluoro-2,5-dimethylpyrimidine
CID 164525965

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(ethylsulfanylmethyl)-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-(ethylsulfanylmethyl)-5-fluoropyrimidine (CID 80550300) is 4,6-dichloro-2-(ethylsulfanylmethyl)-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(ethylsulfanylmethyl)-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-(ethylsulfanylmethyl)-5-fluoropyrimidine is CCSCc1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(ethylsulfanylmethyl)-5-fluoropyrimidine?
The InChIKey is SUTNBGAYVJHMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2FN2S/c1-2-13-3-4-11-6(8)5(10)7(9)12-4/h2-3H2,1H3.
What are the key properties of 4,6-dichloro-2-(ethylsulfanylmethyl)-5-fluoropyrimidine?
4,6-dichloro-2-(ethylsulfanylmethyl)-5-fluoropyrimidine has a molecular weight of 241.12 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(ethylsulfanylmethyl)-5-fluoropyrimidine is sourced from PubChem (CID 80550300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).