N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine

C11H12N4S — CID 80882665

IUPACN-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
SMILESCCNc1nccc(Sc2ccccn2)n1
InChIInChI=1S/C11H12N4S/c1-2-12-11-14-8-6-10(15-11)16-9-5-3-4-7-13-9/h3-8H,2H2,1H3,(H,12,14,15)
InChIKeyGMUHWKJPSAHUBG-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.45
Rot. Bonds4

About N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine

N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine (PubChem CID 80882665) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
PubChem CID80882665
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC NameN-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
SMILESCCNc1nccc(Sc2ccccn2)n1
InChIInChI=1S/C11H12N4S/c1-2-12-11-14-8-6-10(15-11)16-9-5-3-4-7-13-9/h3-8H,2H2,1H3,(H,12,14,15)
InChIKeyGMUHWKJPSAHUBG-UHFFFAOYSA-N
XLogP2.45
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine (CID 80882665) is N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine is CCNc1nccc(Sc2ccccn2)n1.
What is the InChIKey of N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine?
The InChIKey is GMUHWKJPSAHUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-2-12-11-14-8-6-10(15-11)16-9-5-3-4-7-13-9/h3-8H,2H2,1H3,(H,12,14,15).
What are the key properties of N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine?
N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine has a molecular weight of 232.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80882665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).