2-[4-(difluoromethylsulfanyl)phenyl]-5-ethylpyrimidine

C13H12F2N2S — CID 19436410

IUPAC2-[4-(difluoromethylsulfanyl)phenyl]-5-ethylpyrimidine
SMILESCCc1cnc(-c2ccc(SC(F)F)cc2)nc1
InChIInChI=1S/C13H12F2N2S/c1-2-9-7-16-12(17-8-9)10-3-5-11(6-4-10)18-13(14)15/h3-8,13H,2H2,1H3
InChIKeySFVSNZSWOCHINS-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.02
Rot. Bonds4

About 2-[4-(difluoromethylsulfanyl)phenyl]-5-ethylpyrimidine

2-[4-(difluoromethylsulfanyl)phenyl]-5-ethylpyrimidine (PubChem CID 19436410) has the molecular formula C13H12F2N2S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfanyl)phenyl]-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfanyl)phenyl]-5-ethylpyrimidine
PubChem CID19436410
Molecular FormulaC13H12F2N2S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-[4-(difluoromethylsulfanyl)phenyl]-5-ethylpyrimidine
SMILESCCc1cnc(-c2ccc(SC(F)F)cc2)nc1
InChIInChI=1S/C13H12F2N2S/c1-2-9-7-16-12(17-8-9)10-3-5-11(6-4-10)18-13(14)15/h3-8,13H,2H2,1H3
InChIKeySFVSNZSWOCHINS-UHFFFAOYSA-N
XLogP4.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethylsulfanyl)phenyl]-5-octylpyrimidine
CID 19436505
2-[4-(difluoromethylsulfanyl)phenyl]-5-hexoxypyrimidine
CID 19436437
2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine
CID 15114080
5-ethyl-2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]pyrimidine
CID 139858298
5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine
CID 19818152
N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55114017
[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32772704
6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol
CID 86159674
2-(4-nonylsulfanylphenyl)-5-pentylpyrimidine
CID 54099109
N-[(2R)-2,3-dihydroxypropyl]-4-(5-ethylpyrimidin-2-yl)benzamide
CID 126454227
5-[4-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxylic acid
CID 62960097
[4-(5-ethylpyrimidin-2-yl)phenyl] 4-(4-hexylsulfanylphenyl)benzoate
CID 70386863

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfanyl)phenyl]-5-ethylpyrimidine?
The IUPAC name of 2-[4-(difluoromethylsulfanyl)phenyl]-5-ethylpyrimidine (CID 19436410) is 2-[4-(difluoromethylsulfanyl)phenyl]-5-ethylpyrimidine.
What is the SMILES notation for 2-[4-(difluoromethylsulfanyl)phenyl]-5-ethylpyrimidine?
The canonical SMILES for 2-[4-(difluoromethylsulfanyl)phenyl]-5-ethylpyrimidine is CCc1cnc(-c2ccc(SC(F)F)cc2)nc1.
What is the InChIKey of 2-[4-(difluoromethylsulfanyl)phenyl]-5-ethylpyrimidine?
The InChIKey is SFVSNZSWOCHINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2S/c1-2-9-7-16-12(17-8-9)10-3-5-11(6-4-10)18-13(14)15/h3-8,13H,2H2,1H3.
What are the key properties of 2-[4-(difluoromethylsulfanyl)phenyl]-5-ethylpyrimidine?
2-[4-(difluoromethylsulfanyl)phenyl]-5-ethylpyrimidine has a molecular weight of 266.32 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfanyl)phenyl]-5-ethylpyrimidine is sourced from PubChem (CID 19436410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).