4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine

C13H12ClFN2S — CID 80945968

IUPAC4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(Sc2ccccc2F)n1
InChIInChI=1S/C13H12ClFN2S/c1-2-5-12-16-11(14)8-13(17-12)18-10-7-4-3-6-9(10)15/h3-4,6-8H,2,5H2,1H3
InChIKeyDGBRPIAWJSNSGZ-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.37
Rot. Bonds4

About 4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine

4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine (PubChem CID 80945968) has the molecular formula C13H12ClFN2S and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine
PubChem CID80945968
Molecular FormulaC13H12ClFN2S
Molecular Weight282.77 g/mol
Exact Mass282.04
IUPAC Name4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(Sc2ccccc2F)n1
InChIInChI=1S/C13H12ClFN2S/c1-2-5-12-16-11(14)8-13(17-12)18-10-7-4-3-6-9(10)15/h3-4,6-8H,2,5H2,1H3
InChIKeyDGBRPIAWJSNSGZ-UHFFFAOYSA-N
XLogP4.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3,4-dichlorophenyl)sulfanyl-2-propylpyrimidine
CID 80945057
4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine
CID 47159001
4-benzylsulfanyl-6-chloro-2-propylpyrimidine
CID 80945651
4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine
CID 80945971
2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923473
4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
CID 66052660
N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107602346
4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine
CID 80946529
6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113401710
2-chloro-6-(2-fluorophenyl)sulfanylpyrazine
CID 43260478
4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine
CID 80940071
6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80939820

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine (CID 80945968) is 4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine is CCCc1nc(Cl)cc(Sc2ccccc2F)n1.
What is the InChIKey of 4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine?
The InChIKey is DGBRPIAWJSNSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2S/c1-2-5-12-16-11(14)8-13(17-12)18-10-7-4-3-6-9(10)15/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine?
4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine has a molecular weight of 282.77 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine is sourced from PubChem (CID 80945968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).