N-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine

C14H16FN3S — CID 43286467

IUPACN-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine
SMILESCCNC(C)c1cc(F)ccc1Sc1ncccn1
InChIInChI=1S/C14H16FN3S/c1-3-16-10(2)12-9-11(15)5-6-13(12)19-14-17-7-4-8-18-14/h4-10,16H,3H2,1-2H3
InChIKeyDXRRFWNVQUCDBM-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.44
Rot. Bonds5

About N-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine

N-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine (PubChem CID 43286467) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine
PubChem CID43286467
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC NameN-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine
SMILESCCNC(C)c1cc(F)ccc1Sc1ncccn1
InChIInChI=1S/C14H16FN3S/c1-3-16-10(2)12-9-11(15)5-6-13(12)19-14-17-7-4-8-18-14/h4-10,16H,3H2,1-2H3
InChIKeyDXRRFWNVQUCDBM-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine
CID 43286078
N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine
CID 107750935
N-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
CID 61385255
N-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine
CID 63659572
N-ethyl-1-[5-fluoro-2-(3-methoxypropylsulfanyl)phenyl]ethanamine
CID 55260348
N-[1-[5-fluoro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethyl]propan-1-amine
CID 43286204
2-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 61295849
N-ethyl-1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 43284796
1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine
CID 43286578
3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylbutan-1-ol
CID 66137016
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
N-ethyl-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethanamine
CID 43285224

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine (CID 43286467) is N-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine is CCNC(C)c1cc(F)ccc1Sc1ncccn1.
What is the InChIKey of N-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine?
The InChIKey is DXRRFWNVQUCDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-3-16-10(2)12-9-11(15)5-6-13(12)19-14-17-7-4-8-18-14/h4-10,16H,3H2,1-2H3.
What are the key properties of N-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine?
N-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine has a molecular weight of 277.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine is sourced from PubChem (CID 43286467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).