4-chloro-6-fluoro-2-methylsulfanylpyrimidine

C5H4ClFN2S — CID 134202157

IUPAC4-chloro-6-fluoro-2-methylsulfanylpyrimidine
SMILESCSc1nc(F)cc(Cl)n1
InChIInChI=1S/C5H4ClFN2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3
InChIKeyRFDAPKDJJBGQIP-UHFFFAOYSA-N
MW178.62 g/mol
LogP1.99
Rot. Bonds1

About 4-chloro-6-fluoro-2-methylsulfanylpyrimidine

4-chloro-6-fluoro-2-methylsulfanylpyrimidine (PubChem CID 134202157) has the molecular formula C5H4ClFN2S and a molecular weight of 178.62 g/mol. Its IUPAC name is 4-chloro-6-fluoro-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-fluoro-2-methylsulfanylpyrimidine
PubChem CID134202157
Molecular FormulaC5H4ClFN2S
Molecular Weight178.62 g/mol
Exact Mass177.98
IUPAC Name4-chloro-6-fluoro-2-methylsulfanylpyrimidine
SMILESCSc1nc(F)cc(Cl)n1
InChIInChI=1S/C5H4ClFN2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3
InChIKeyRFDAPKDJJBGQIP-UHFFFAOYSA-N
XLogP1.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-Trichloropyrimidine
CID 77378
4,6-Dichloro-2-(methylthio)pyrimidine
CID 80531
4-Amino-6-chloro-2-methylthiopyrimidine
CID 70496
6-chloro-N-methyl-2-(methylsulfanyl)-4-pyrimidinamine
CID 1488171
4,6-Dichloro-2-(methylsulfonyl)pyrimidine
CID 239685
2,4-Dichloro-6-(methylsulfanyl)pyrimidine
CID 19693883
2,4-Dichloro-6-fluoropyrimidine
CID 597262
4-Chloro-6-methylsulfanylpyrimidin-2-amine
CID 237626
Pyrimidine, 4-chloro-2,6-difluoro-
CID 21259054
4,6-Difluoro-2-(methylsulfanyl)pyrimidine
CID 14461144
4,6-Dichloro-5-fluoro-2-(methylsulfanyl)pyrimidine
CID 22378277
4-Chloro-2,6-bis(methylsulfanyl)pyrimidine
CID 25105360

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-fluoro-2-methylsulfanylpyrimidine (CID 134202157) is 4-chloro-6-fluoro-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-fluoro-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-fluoro-2-methylsulfanylpyrimidine is CSc1nc(F)cc(Cl)n1.
What is the InChIKey of 4-chloro-6-fluoro-2-methylsulfanylpyrimidine?
The InChIKey is RFDAPKDJJBGQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3.
What are the key properties of 4-chloro-6-fluoro-2-methylsulfanylpyrimidine?
4-chloro-6-fluoro-2-methylsulfanylpyrimidine has a molecular weight of 178.62 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-2-methylsulfanylpyrimidine is sourced from PubChem (CID 134202157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).