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

C14H15Cl2N5S — CID 167432552

IUPAC6-N-(azetidin-3-ylmethyl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine
SMILESNc1nc(NCC2CNC2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N5S/c15-9-2-1-3-10(12(9)16)22-14-13(17)21-11(7-20-14)19-6-8-4-18-5-8/h1-3,7-8,18H,4-6H2,(H3,17,19,21)
InChIKeyOAHWDVSGDJZZCS-UHFFFAOYSA-N
MW356.28 g/mol
LogP3.15
Rot. Bonds5

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

6-N-(azetidin-3-ylmethyl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine (PubChem CID 167432552) has the molecular formula C14H15Cl2N5S and a molecular weight of 356.28 g/mol. Its IUPAC name is 6-N-(azetidin-3-ylmethyl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-(azetidin-3-ylmethyl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine
PubChem CID167432552
Molecular FormulaC14H15Cl2N5S
Molecular Weight356.28 g/mol
Exact Mass355.04
IUPAC Name6-N-(azetidin-3-ylmethyl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine
SMILESNc1nc(NCC2CNC2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N5S/c15-9-2-1-3-10(12(9)16)22-14-13(17)21-11(7-20-14)19-6-8-4-18-5-8/h1-3,7-8,18H,4-6H2,(H3,17,19,21)
InChIKeyOAHWDVSGDJZZCS-UHFFFAOYSA-N
XLogP3.15
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 53.15
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-ylmethyl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine?
The IUPAC name of 6-N-(azetidin-3-ylmethyl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine (CID 167432552) is 6-N-(azetidin-3-ylmethyl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine.
What is the SMILES notation for 6-N-(azetidin-3-ylmethyl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine?
The canonical SMILES for 6-N-(azetidin-3-ylmethyl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine is Nc1nc(NCC2CNC2)cnc1Sc1cccc(Cl)c1Cl.
What is the InChIKey of 6-N-(azetidin-3-ylmethyl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine?
The InChIKey is OAHWDVSGDJZZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5S/c15-9-2-1-3-10(12(9)16)22-14-13(17)21-11(7-20-14)19-6-8-4-18-5-8/h1-3,7-8,18H,4-6H2,(H3,17,19,21).
What are the key properties of 6-N-(azetidin-3-ylmethyl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine?
6-N-(azetidin-3-ylmethyl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine has a molecular weight of 356.28 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(azetidin-3-ylmethyl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2,6-diamine is sourced from PubChem (CID 167432552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).