5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine

C16H18Cl2N4S — CID 134183060

IUPAC5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine
SMILESCc1nc(NCC2CCNC2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C16H18Cl2N4S/c1-10-16(23-13-4-2-3-12(17)15(13)18)21-9-14(22-10)20-8-11-5-6-19-7-11/h2-4,9,11,19H,5-8H2,1H3,(H,20,22)
InChIKeyWNHGVIFDUALWIA-UHFFFAOYSA-N
MW369.32 g/mol
LogP4.26
Rot. Bonds5

About 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine

5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine (PubChem CID 134183060) has the molecular formula C16H18Cl2N4S and a molecular weight of 369.32 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine
PubChem CID134183060
Molecular FormulaC16H18Cl2N4S
Molecular Weight369.32 g/mol
Exact Mass368.06
IUPAC Name5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine
SMILESCc1nc(NCC2CCNC2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C16H18Cl2N4S/c1-10-16(23-13-4-2-3-12(17)15(13)18)21-9-14(22-10)20-8-11-5-6-19-7-11/h2-4,9,11,19H,5-8H2,1H3,(H,20,22)
InChIKeyWNHGVIFDUALWIA-UHFFFAOYSA-N
XLogP4.26
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine?
The IUPAC name of 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine (CID 134183060) is 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine is Cc1nc(NCC2CCNC2)cnc1Sc1cccc(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine?
The InChIKey is WNHGVIFDUALWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4S/c1-10-16(23-13-4-2-3-12(17)15(13)18)21-9-14(22-10)20-8-11-5-6-19-7-11/h2-4,9,11,19H,5-8H2,1H3,(H,20,22).
What are the key properties of 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine?
5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine has a molecular weight of 369.32 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 134183060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).