6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine

C13H13Cl2N5S — CID 167432557

IUPAC6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine
SMILESNc1nc(NC2CNC2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C13H13Cl2N5S/c14-8-2-1-3-9(11(8)15)21-13-12(16)20-10(6-18-13)19-7-4-17-5-7/h1-3,6-7,17H,4-5H2,(H3,16,19,20)
InChIKeyRUQUYBGZTRRSIH-UHFFFAOYSA-N
MW342.26 g/mol
LogP2.90
Rot. Bonds4

About 6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine

6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine (PubChem CID 167432557) has the molecular formula C13H13Cl2N5S and a molecular weight of 342.26 g/mol. Its IUPAC name is 6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine
PubChem CID167432557
Molecular FormulaC13H13Cl2N5S
Molecular Weight342.26 g/mol
Exact Mass341.03
IUPAC Name6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine
SMILESNc1nc(NC2CNC2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C13H13Cl2N5S/c14-8-2-1-3-9(11(8)15)21-13-12(16)20-10(6-18-13)19-7-4-17-5-7/h1-3,6-7,17H,4-5H2,(H3,16,19,20)
InChIKeyRUQUYBGZTRRSIH-UHFFFAOYSA-N
XLogP2.90
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine?
The IUPAC name of 6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine (CID 167432557) is 6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine.
What is the SMILES notation for 6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine?
The canonical SMILES for 6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine is Nc1nc(NC2CNC2)cnc1Sc1cccc(Cl)c1Cl.
What is the InChIKey of 6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine?
The InChIKey is RUQUYBGZTRRSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N5S/c14-8-2-1-3-9(11(8)15)21-13-12(16)20-10(6-18-13)19-7-4-17-5-7/h1-3,6-7,17H,4-5H2,(H3,16,19,20).
What are the key properties of 6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine?
6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine has a molecular weight of 342.26 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine is sourced from PubChem (CID 167432557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).