5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine

C12H12FN3S — CID 80883053

IUPAC5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Sc1ccc(F)cc1
InChIInChI=1S/C12H12FN3S/c1-2-10-11(14)15-7-16-12(10)17-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H2,14,15,16)
InChIKeyIQEKSWFBBLVAEH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.91
Rot. Bonds3

About 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine

5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine (PubChem CID 80883053) has the molecular formula C12H12FN3S and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine
PubChem CID80883053
Molecular FormulaC12H12FN3S
Molecular Weight249.31 g/mol
Exact Mass249.07
IUPAC Name5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Sc1ccc(F)cc1
InChIInChI=1S/C12H12FN3S/c1-2-10-11(14)15-7-16-12(10)17-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H2,14,15,16)
InChIKeyIQEKSWFBBLVAEH-UHFFFAOYSA-N
XLogP2.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine 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

6-[(4-Methylphenyl)sulfanyl]pyrimidine-2,4-Diamine
CID 11096469
4-Benzylsulfanylpyrimidin-2-amine
CID 238734
4-[(2-Fluorobenzyl)amino]-6-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 52149222
6-(4-fluorophenyl)sulfanyl-N-propan-2-ylpyrimidin-4-amine
CID 172433332
6-Benzylsulfanyl-5-fluoro-2-methyl-pyrimidin-4-ylamine
CID 563607
2-Chloro-4-phenylthio-5-trifluoromethylpyrimidine
CID 118498168
2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine
CID 241193
4,6-Bis[(4-fluorophenyl)sulfanyl]pyrimidine
CID 40067908
4-((2-Fluorobenzyl)thio)-6-(pyrrolidin-1-yl)pyrimidine
CID 44071661
6-Benzylsulfanyl-2-methyl-5-trifluoromethyl-pyrimidin-4-ylamine
CID 560959
2-Phenylthio-5-fluoropyrimidine
CID 20475735
2-[(2,6-Difluorophenyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23293839

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine (CID 80883053) is 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine is CCc1c(N)ncnc1Sc1ccc(F)cc1.
What is the InChIKey of 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine?
The InChIKey is IQEKSWFBBLVAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3S/c1-2-10-11(14)15-7-16-12(10)17-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H2,14,15,16).
What are the key properties of 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine?
5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine has a molecular weight of 249.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80883053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).