4-pyrazin-2-ylsulfanylquinazolin-2-amine

C12H9N5S — CID 80889192

IUPAC4-pyrazin-2-ylsulfanylquinazolin-2-amine
SMILESNc1nc(Sc2cnccn2)c2ccccc2n1
InChIInChI=1S/C12H9N5S/c13-12-16-9-4-2-1-3-8(9)11(17-12)18-10-7-14-5-6-15-10/h1-7H,(H2,13,16,17)
InChIKeyXNKAWWRSLXGAFC-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.15
Rot. Bonds2

About 4-pyrazin-2-ylsulfanylquinazolin-2-amine

4-pyrazin-2-ylsulfanylquinazolin-2-amine (PubChem CID 80889192) has the molecular formula C12H9N5S and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-pyrazin-2-ylsulfanylquinazolin-2-amine.

Molecular Properties

Compound Name4-pyrazin-2-ylsulfanylquinazolin-2-amine
PubChem CID80889192
Molecular FormulaC12H9N5S
Molecular Weight255.31 g/mol
Exact Mass255.06
IUPAC Name4-pyrazin-2-ylsulfanylquinazolin-2-amine
SMILESNc1nc(Sc2cnccn2)c2ccccc2n1
InChIInChI=1S/C12H9N5S/c13-12-16-9-4-2-1-3-8(9)11(17-12)18-10-7-14-5-6-15-10/h1-7H,(H2,13,16,17)
InChIKeyXNKAWWRSLXGAFC-UHFFFAOYSA-N
XLogP2.15
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazin-2-ylsulfanylquinazolin-2-amine?
The IUPAC name of 4-pyrazin-2-ylsulfanylquinazolin-2-amine (CID 80889192) is 4-pyrazin-2-ylsulfanylquinazolin-2-amine.
What is the SMILES notation for 4-pyrazin-2-ylsulfanylquinazolin-2-amine?
The canonical SMILES for 4-pyrazin-2-ylsulfanylquinazolin-2-amine is Nc1nc(Sc2cnccn2)c2ccccc2n1.
What is the InChIKey of 4-pyrazin-2-ylsulfanylquinazolin-2-amine?
The InChIKey is XNKAWWRSLXGAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5S/c13-12-16-9-4-2-1-3-8(9)11(17-12)18-10-7-14-5-6-15-10/h1-7H,(H2,13,16,17).
What are the key properties of 4-pyrazin-2-ylsulfanylquinazolin-2-amine?
4-pyrazin-2-ylsulfanylquinazolin-2-amine has a molecular weight of 255.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-ylsulfanylquinazolin-2-amine is sourced from PubChem (CID 80889192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).