3-(2,3-dichlorophenyl)sulfanyl-6-N-(pyrrolidin-2-ylmethyl)pyrazine-2,6-diamine

C15H17Cl2N5S — CID 167432538

IUPAC3-(2,3-dichlorophenyl)sulfanyl-6-N-(pyrrolidin-2-ylmethyl)pyrazine-2,6-diamine
SMILESNc1nc(NCC2CCCN2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C15H17Cl2N5S/c16-10-4-1-5-11(13(10)17)23-15-14(18)22-12(8-21-15)20-7-9-3-2-6-19-9/h1,4-5,8-9,19H,2-3,6-7H2,(H3,18,20,22)
InChIKeyMUYVOTKBGINULP-UHFFFAOYSA-N
MW370.31 g/mol
LogP3.68
Rot. Bonds5

About 3-(2,3-dichlorophenyl)sulfanyl-6-N-(pyrrolidin-2-ylmethyl)pyrazine-2,6-diamine

3-(2,3-dichlorophenyl)sulfanyl-6-N-(pyrrolidin-2-ylmethyl)pyrazine-2,6-diamine (PubChem CID 167432538) has the molecular formula C15H17Cl2N5S and a molecular weight of 370.31 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)sulfanyl-6-N-(pyrrolidin-2-ylmethyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)sulfanyl-6-N-(pyrrolidin-2-ylmethyl)pyrazine-2,6-diamine
PubChem CID167432538
Molecular FormulaC15H17Cl2N5S
Molecular Weight370.31 g/mol
Exact Mass369.06
IUPAC Name3-(2,3-dichlorophenyl)sulfanyl-6-N-(pyrrolidin-2-ylmethyl)pyrazine-2,6-diamine
SMILESNc1nc(NCC2CCCN2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C15H17Cl2N5S/c16-10-4-1-5-11(13(10)17)23-15-14(18)22-12(8-21-15)20-7-9-3-2-6-19-9/h1,4-5,8-9,19H,2-3,6-7H2,(H3,18,20,22)
InChIKeyMUYVOTKBGINULP-UHFFFAOYSA-N
XLogP3.68
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)sulfanyl-6-N-(pyrrolidin-2-ylmethyl)pyrazine-2,6-diamine?
The IUPAC name of 3-(2,3-dichlorophenyl)sulfanyl-6-N-(pyrrolidin-2-ylmethyl)pyrazine-2,6-diamine (CID 167432538) is 3-(2,3-dichlorophenyl)sulfanyl-6-N-(pyrrolidin-2-ylmethyl)pyrazine-2,6-diamine.
What is the SMILES notation for 3-(2,3-dichlorophenyl)sulfanyl-6-N-(pyrrolidin-2-ylmethyl)pyrazine-2,6-diamine?
The canonical SMILES for 3-(2,3-dichlorophenyl)sulfanyl-6-N-(pyrrolidin-2-ylmethyl)pyrazine-2,6-diamine is Nc1nc(NCC2CCCN2)cnc1Sc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)sulfanyl-6-N-(pyrrolidin-2-ylmethyl)pyrazine-2,6-diamine?
The InChIKey is MUYVOTKBGINULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5S/c16-10-4-1-5-11(13(10)17)23-15-14(18)22-12(8-21-15)20-7-9-3-2-6-19-9/h1,4-5,8-9,19H,2-3,6-7H2,(H3,18,20,22).
What are the key properties of 3-(2,3-dichlorophenyl)sulfanyl-6-N-(pyrrolidin-2-ylmethyl)pyrazine-2,6-diamine?
3-(2,3-dichlorophenyl)sulfanyl-6-N-(pyrrolidin-2-ylmethyl)pyrazine-2,6-diamine has a molecular weight of 370.31 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)sulfanyl-6-N-(pyrrolidin-2-ylmethyl)pyrazine-2,6-diamine is sourced from PubChem (CID 167432538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).