6-chloro-2-quinoxalin-2-ylsulfanylpyrimidin-4-amine

C12H8ClN5S — CID 152696720

IUPAC6-chloro-2-quinoxalin-2-ylsulfanylpyrimidin-4-amine
SMILESNc1cc(Cl)nc(Sc2cnc3ccccc3n2)n1
InChIInChI=1S/C12H8ClN5S/c13-9-5-10(14)18-12(17-9)19-11-6-15-7-3-1-2-4-8(7)16-11/h1-6H,(H2,14,17,18)
InChIKeyZQSFMIXYRUEOKJ-UHFFFAOYSA-N
MW289.75 g/mol
LogP2.81
Rot. Bonds2

About 6-chloro-2-quinoxalin-2-ylsulfanylpyrimidin-4-amine

6-chloro-2-quinoxalin-2-ylsulfanylpyrimidin-4-amine (PubChem CID 152696720) has the molecular formula C12H8ClN5S and a molecular weight of 289.75 g/mol. Its IUPAC name is 6-chloro-2-quinoxalin-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-quinoxalin-2-ylsulfanylpyrimidin-4-amine
PubChem CID152696720
Molecular FormulaC12H8ClN5S
Molecular Weight289.75 g/mol
Exact Mass289.02
IUPAC Name6-chloro-2-quinoxalin-2-ylsulfanylpyrimidin-4-amine
SMILESNc1cc(Cl)nc(Sc2cnc3ccccc3n2)n1
InChIInChI=1S/C12H8ClN5S/c13-9-5-10(14)18-12(17-9)19-11-6-15-7-3-1-2-4-8(7)16-11/h1-6H,(H2,14,17,18)
InChIKeyZQSFMIXYRUEOKJ-UHFFFAOYSA-N
XLogP2.81
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-quinoxalin-2-ylsulfanylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-quinoxalin-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-quinoxalin-2-ylsulfanylpyrimidin-4-amine (CID 152696720) is 6-chloro-2-quinoxalin-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-quinoxalin-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-quinoxalin-2-ylsulfanylpyrimidin-4-amine is Nc1cc(Cl)nc(Sc2cnc3ccccc3n2)n1.
What is the InChIKey of 6-chloro-2-quinoxalin-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is ZQSFMIXYRUEOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN5S/c13-9-5-10(14)18-12(17-9)19-11-6-15-7-3-1-2-4-8(7)16-11/h1-6H,(H2,14,17,18).
What are the key properties of 6-chloro-2-quinoxalin-2-ylsulfanylpyrimidin-4-amine?
6-chloro-2-quinoxalin-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 289.75 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-quinoxalin-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 152696720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).