4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine

C18H15FN6OS — CID 133420896

IUPAC4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
SMILESCCc1ncnc(Sc2nnc(-c3ccccn3)n2Cc2ccco2)c1F
InChIInChI=1S/C18H15FN6OS/c1-2-13-15(19)17(22-11-21-13)27-18-24-23-16(14-7-3-4-8-20-14)25(18)10-12-6-5-9-26-12/h3-9,11H,2,10H2,1H3
InChIKeyXYCCVWHQUDFZOS-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.62
Rot. Bonds6

About 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine

4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine (PubChem CID 133420896) has the molecular formula C18H15FN6OS and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
PubChem CID133420896
Molecular FormulaC18H15FN6OS
Molecular Weight382.42 g/mol
Exact Mass382.10
IUPAC Name4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
SMILESCCc1ncnc(Sc2nnc(-c3ccccn3)n2Cc2ccco2)c1F
InChIInChI=1S/C18H15FN6OS/c1-2-13-15(19)17(22-11-21-13)27-18-24-23-16(14-7-3-4-8-20-14)25(18)10-12-6-5-9-26-12/h3-9,11H,2,10H2,1H3
InChIKeyXYCCVWHQUDFZOS-UHFFFAOYSA-N
XLogP3.62
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

probe 1.1 [PMID: 24187130]
CID 46245518
2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 938470
4-(5-Furan-2-yl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-pyridine
CID 647418
3-(2-Furyl)-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665718
3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-(3-pyridyl)-1,2,4-triazole
CID 662653
2-[5-[(4-Tert-butylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
CID 2482316
3-[4-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyridine
CID 5389585
7-(2-(4-(2,4-Difluorophenyl)piperazin-1-yl)ethylthio)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 20770635
2-Furan-2-yl-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 23570321
[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid ethyl ester
CID 647573
2-{[4-(furan-2-ylmethyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
CID 662141
2-[[4-(Furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 662262

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine (CID 133420896) is 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine is CCc1ncnc(Sc2nnc(-c3ccccn3)n2Cc2ccco2)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine?
The InChIKey is XYCCVWHQUDFZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6OS/c1-2-13-15(19)17(22-11-21-13)27-18-24-23-16(14-7-3-4-8-20-14)25(18)10-12-6-5-9-26-12/h3-9,11H,2,10H2,1H3.
What are the key properties of 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine?
4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine has a molecular weight of 382.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine is sourced from PubChem (CID 133420896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).