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

C19H15FN6S — CID 133420889

IUPAC4-ethyl-5-fluoro-6-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESCCc1ncnc(Sc2nnc(-c3ccccn3)n2-c2ccccc2)c1F
InChIInChI=1S/C19H15FN6S/c1-2-14-16(20)18(23-12-22-14)27-19-25-24-17(15-10-6-7-11-21-15)26(19)13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChIKeyQAEYNQSOBKBVQQ-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.97
Rot. Bonds5

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

4-ethyl-5-fluoro-6-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (PubChem CID 133420889) has the molecular formula C19H15FN6S and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
PubChem CID133420889
Molecular FormulaC19H15FN6S
Molecular Weight378.44 g/mol
Exact Mass378.11
IUPAC Name4-ethyl-5-fluoro-6-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESCCc1ncnc(Sc2nnc(-c3ccccn3)n2-c2ccccc2)c1F
InChIInChI=1S/C19H15FN6S/c1-2-14-16(20)18(23-12-22-14)27-19-25-24-17(15-10-6-7-11-21-15)26(19)13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChIKeyQAEYNQSOBKBVQQ-UHFFFAOYSA-N
XLogP3.97
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

4-ethyl-5-fluoro-6-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
CID 133434086
4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 155949935
4-ethyl-5-fluoro-6-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
CID 133432916
2-[[4-(4-ethylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43813064
2-[2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 18708550
6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline
CID 133426911
2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 133434206
4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
CID 133420901
1-(4-chlorophenyl)-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2218930
3-[[4-(4-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-(trifluoromethyl)pyridazine
CID 133420824
N-tert-butyl-2-[[4-(4-ethylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1456294
2-[5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]pyridine
CID 2963604

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (CID 133420889) is 4-ethyl-5-fluoro-6-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is CCc1ncnc(Sc2nnc(-c3ccccn3)n2-c2ccccc2)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The InChIKey is QAEYNQSOBKBVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6S/c1-2-14-16(20)18(23-12-22-14)27-19-25-24-17(15-10-6-7-11-21-15)26(19)13-8-4-3-5-9-13/h3-12H,2H2,1H3.
What are the key properties of 4-ethyl-5-fluoro-6-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
4-ethyl-5-fluoro-6-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine has a molecular weight of 378.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is sourced from PubChem (CID 133420889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).