2-chloro-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidine

C7H4ClFN4S — CID 107780775

IUPAC2-chloro-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidine
SMILESFc1cnc(Cl)nc1Sc1ncc[nH]1
InChIInChI=1S/C7H4ClFN4S/c8-6-12-3-4(9)5(13-6)14-7-10-1-2-11-7/h1-3H,(H,10,11)
InChIKeyZCESCROXLWQPJS-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.14
Rot. Bonds2

About 2-chloro-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidine

2-chloro-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidine (PubChem CID 107780775) has the molecular formula C7H4ClFN4S and a molecular weight of 230.66 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidine
PubChem CID107780775
Molecular FormulaC7H4ClFN4S
Molecular Weight230.66 g/mol
Exact Mass229.98
IUPAC Name2-chloro-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidine
SMILESFc1cnc(Cl)nc1Sc1ncc[nH]1
InChIInChI=1S/C7H4ClFN4S/c8-6-12-3-4(9)5(13-6)14-7-10-1-2-11-7/h1-3H,(H,10,11)
InChIKeyZCESCROXLWQPJS-UHFFFAOYSA-N
XLogP2.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(1H-imidazol-2-ylsulfanyl)pyrimidine
CID 71995938
2-Chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine
CID 79075592
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
4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine
CID 107780733
2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 107780749
4-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyrimidine
CID 107780795
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
5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 107784895

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidine (CID 107780775) is 2-chloro-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidine is Fc1cnc(Cl)nc1Sc1ncc[nH]1.
What is the InChIKey of 2-chloro-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidine?
The InChIKey is ZCESCROXLWQPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN4S/c8-6-12-3-4(9)5(13-6)14-7-10-1-2-11-7/h1-3H,(H,10,11).
What are the key properties of 2-chloro-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidine?
2-chloro-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidine has a molecular weight of 230.66 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidine is sourced from PubChem (CID 107780775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).