N-ethyl-5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine

C10H10FN3S2 — CID 80887755

IUPACN-ethyl-5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2cccs2)n1
InChIInChI=1S/C10H10FN3S2/c1-2-12-10-13-6-7(11)9(14-10)16-8-4-3-5-15-8/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyWSACEPSNGCTDQW-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.26
Rot. Bonds4

About N-ethyl-5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine

N-ethyl-5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine (PubChem CID 80887755) has the molecular formula C10H10FN3S2 and a molecular weight of 255.34 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine
PubChem CID80887755
Molecular FormulaC10H10FN3S2
Molecular Weight255.34 g/mol
Exact Mass255.03
IUPAC NameN-ethyl-5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2cccs2)n1
InChIInChI=1S/C10H10FN3S2/c1-2-12-10-13-6-7(11)9(14-10)16-8-4-3-5-15-8/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyWSACEPSNGCTDQW-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine (CID 80887755) is N-ethyl-5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine is CCNc1ncc(F)c(Sc2cccs2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine?
The InChIKey is WSACEPSNGCTDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S2/c1-2-12-10-13-6-7(11)9(14-10)16-8-4-3-5-15-8/h3-6H,2H2,1H3,(H,12,13,14).
What are the key properties of N-ethyl-5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine?
N-ethyl-5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine has a molecular weight of 255.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-thiophen-2-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80887755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).