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

C14H15Cl2N5S — CID 167432547

IUPAC6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanyl-6-N-methylpyrazine-2,6-diamine
SMILESCN(c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1)C1CNC1
InChIInChI=1S/C14H15Cl2N5S/c1-21(8-5-18-6-8)11-7-19-14(13(17)20-11)22-10-4-2-3-9(15)12(10)16/h2-4,7-8,18H,5-6H2,1H3,(H2,17,20)
InChIKeyVVRHMVIBJLNISA-UHFFFAOYSA-N
MW356.28 g/mol
LogP2.92
Rot. Bonds4

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

6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanyl-6-N-methylpyrazine-2,6-diamine (PubChem CID 167432547) has the molecular formula C14H15Cl2N5S and a molecular weight of 356.28 g/mol. Its IUPAC name is 6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanyl-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanyl-6-N-methylpyrazine-2,6-diamine
PubChem CID167432547
Molecular FormulaC14H15Cl2N5S
Molecular Weight356.28 g/mol
Exact Mass355.04
IUPAC Name6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanyl-6-N-methylpyrazine-2,6-diamine
SMILESCN(c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1)C1CNC1
InChIInChI=1S/C14H15Cl2N5S/c1-21(8-5-18-6-8)11-7-19-14(13(17)20-11)22-10-4-2-3-9(15)12(10)16/h2-4,7-8,18H,5-6H2,1H3,(H2,17,20)
InChIKeyVVRHMVIBJLNISA-UHFFFAOYSA-N
XLogP2.92
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 52.92
H-Bond Donors ≤ 52
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)sulfanyl-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanyl-6-N-methylpyrazine-2,6-diamine (CID 167432547) is 6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanyl-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanyl-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanyl-6-N-methylpyrazine-2,6-diamine is CN(c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1)C1CNC1.
What is the InChIKey of 6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanyl-6-N-methylpyrazine-2,6-diamine?
The InChIKey is VVRHMVIBJLNISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5S/c1-21(8-5-18-6-8)11-7-19-14(13(17)20-11)22-10-4-2-3-9(15)12(10)16/h2-4,7-8,18H,5-6H2,1H3,(H2,17,20).
What are the key properties of 6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanyl-6-N-methylpyrazine-2,6-diamine?
6-N-(azetidin-3-yl)-3-(2,3-dichlorophenyl)sulfanyl-6-N-methylpyrazine-2,6-diamine has a molecular weight of 356.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 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)sulfanyl-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 167432547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).