4-ethyl-5-fluoro-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]pyrimidine

C15H12F2N4S — CID 133431851

IUPAC4-ethyl-5-fluoro-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]pyrimidine
SMILESCCc1ncnc(Sc2ncc(-c3ccc(F)cc3)[nH]2)c1F
InChIInChI=1S/C15H12F2N4S/c1-2-11-13(17)14(20-8-19-11)22-15-18-7-12(21-15)9-3-5-10(16)6-4-9/h3-8H,2H2,1H3,(H,18,21)
InChIKeySFGOQHHPGKGQGF-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.86
Rot. Bonds4

About 4-ethyl-5-fluoro-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]pyrimidine

4-ethyl-5-fluoro-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]pyrimidine (PubChem CID 133431851) has the molecular formula C15H12F2N4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]pyrimidine
PubChem CID133431851
Molecular FormulaC15H12F2N4S
Molecular Weight318.35 g/mol
Exact Mass318.08
IUPAC Name4-ethyl-5-fluoro-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]pyrimidine
SMILESCCc1ncnc(Sc2ncc(-c3ccc(F)cc3)[nH]2)c1F
InChIInChI=1S/C15H12F2N4S/c1-2-11-13(17)14(20-8-19-11)22-15-18-7-12(21-15)9-3-5-10(16)6-4-9/h3-8H,2H2,1H3,(H,18,21)
InChIKeySFGOQHHPGKGQGF-UHFFFAOYSA-N
XLogP3.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]pyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]pyrimidine (CID 133431851) is 4-ethyl-5-fluoro-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]pyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]pyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]pyrimidine is CCc1ncnc(Sc2ncc(-c3ccc(F)cc3)[nH]2)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]pyrimidine?
The InChIKey is SFGOQHHPGKGQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4S/c1-2-11-13(17)14(20-8-19-11)22-15-18-7-12(21-15)9-3-5-10(16)6-4-9/h3-8H,2H2,1H3,(H,18,21).
What are the key properties of 4-ethyl-5-fluoro-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]pyrimidine?
4-ethyl-5-fluoro-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]pyrimidine has a molecular weight of 318.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]pyrimidine is sourced from PubChem (CID 133431851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).