4-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyrimidine

C7H5FN4S — CID 107780795

IUPAC4-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyrimidine
SMILESFc1cc(Sc2ncc[nH]2)ncn1
InChIInChI=1S/C7H5FN4S/c8-5-3-6(12-4-11-5)13-7-9-1-2-10-7/h1-4H,(H,9,10)
InChIKeyWWRHLWHTISWUKW-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.49
Rot. Bonds2

About 4-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyrimidine

4-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyrimidine (PubChem CID 107780795) has the molecular formula C7H5FN4S and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyrimidine
PubChem CID107780795
Molecular FormulaC7H5FN4S
Molecular Weight196.21 g/mol
Exact Mass196.02
IUPAC Name4-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyrimidine
SMILESFc1cc(Sc2ncc[nH]2)ncn1
InChIInChI=1S/C7H5FN4S/c8-5-3-6(12-4-11-5)13-7-9-1-2-10-7/h1-4H,(H,9,10)
InChIKeyWWRHLWHTISWUKW-UHFFFAOYSA-N
XLogP1.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80887075
N-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
CID 80887853
5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
CID 80887976
5-Fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
CID 80888383
N-methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774978
6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774979
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774980
4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine
CID 107780733
2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 107780749
2-chloro-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidine
CID 107780775
6-(1H-imidazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 107784851
N-ethyl-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
CID 107784858

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyrimidine?
The IUPAC name of 4-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyrimidine (CID 107780795) is 4-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyrimidine?
The canonical SMILES for 4-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyrimidine is Fc1cc(Sc2ncc[nH]2)ncn1.
What is the InChIKey of 4-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyrimidine?
The InChIKey is WWRHLWHTISWUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4S/c8-5-3-6(12-4-11-5)13-7-9-1-2-10-7/h1-4H,(H,9,10).
What are the key properties of 4-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyrimidine?
4-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyrimidine has a molecular weight of 196.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyrimidine is sourced from PubChem (CID 107780795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).