2-chloro-5-fluoro-4-propylsulfanylpyrimidine

C7H8ClFN2S — CID 79075373

IUPAC2-chloro-5-fluoro-4-propylsulfanylpyrimidine
SMILESCCCSc1nc(Cl)ncc1F
InChIInChI=1S/C7H8ClFN2S/c1-2-3-12-6-5(9)4-10-7(8)11-6/h4H,2-3H2,1H3
InChIKeySTAHIQREZVRPNF-UHFFFAOYSA-N
MW206.67 g/mol
LogP2.77
Rot. Bonds3

About 2-chloro-5-fluoro-4-propylsulfanylpyrimidine

2-chloro-5-fluoro-4-propylsulfanylpyrimidine (PubChem CID 79075373) has the molecular formula C7H8ClFN2S and a molecular weight of 206.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-propylsulfanylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-propylsulfanylpyrimidine
PubChem CID79075373
Molecular FormulaC7H8ClFN2S
Molecular Weight206.67 g/mol
Exact Mass206.01
IUPAC Name2-chloro-5-fluoro-4-propylsulfanylpyrimidine
SMILESCCCSc1nc(Cl)ncc1F
InChIInChI=1S/C7H8ClFN2S/c1-2-3-12-6-5(9)4-10-7(8)11-6/h4H,2-3H2,1H3
InChIKeySTAHIQREZVRPNF-UHFFFAOYSA-N
XLogP2.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-4-(methylthio)pyrimidine
CID 16427148
Pyrimidine, 2,4-bis(methylthio)-
CID 599004
5-Bromo-2-chloro-4-(methylthio)pyrimidine
CID 12264796
N-[5-fluoro-2-(methylsulfanyl)-4-pyrimidinyl]-N,N-dimethylamine
CID 685638
4-Methylthiopyrimidine
CID 5324771
Pyrimidine, 5-bromo-4-(methylthio)-
CID 12270080
4-(Ethylsulfanyl)pyrimidine
CID 45080484
4-Fluoro-5-iodo-2-(methylsulfanyl)pyrimidine
CID 10015936
2-Chloro-5-fluoro-4-(methylsulfanyl)pyrimidine
CID 13608251
2-Chloro-5-fluoro-4-thiocyanopyrimidine
CID 14256952
2-Chloro-5-(methylthio)pyrimidine
CID 21979532
2,5-Dichloro-4-(methylsulfanyl)pyrimidine
CID 58200927

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-propylsulfanylpyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-propylsulfanylpyrimidine (CID 79075373) is 2-chloro-5-fluoro-4-propylsulfanylpyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-propylsulfanylpyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-propylsulfanylpyrimidine is CCCSc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-propylsulfanylpyrimidine?
The InChIKey is STAHIQREZVRPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2S/c1-2-3-12-6-5(9)4-10-7(8)11-6/h4H,2-3H2,1H3.
What are the key properties of 2-chloro-5-fluoro-4-propylsulfanylpyrimidine?
2-chloro-5-fluoro-4-propylsulfanylpyrimidine has a molecular weight of 206.67 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-propylsulfanylpyrimidine is sourced from PubChem (CID 79075373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).