6-chloro-N-[1-(4-methylsulfanylphenyl)butyl]pyrazin-2-amine

C15H18ClN3S — CID 58853289

IUPAC6-chloro-N-[1-(4-methylsulfanylphenyl)butyl]pyrazin-2-amine
SMILESCCCC(Nc1cncc(Cl)n1)c1ccc(SC)cc1
InChIInChI=1S/C15H18ClN3S/c1-3-4-13(11-5-7-12(20-2)8-6-11)18-15-10-17-9-14(16)19-15/h5-10,13H,3-4H2,1-2H3,(H,18,19)
InChIKeyRXGMVNHCTFNXGM-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.81
Rot. Bonds6

About 6-chloro-N-[1-(4-methylsulfanylphenyl)butyl]pyrazin-2-amine

6-chloro-N-[1-(4-methylsulfanylphenyl)butyl]pyrazin-2-amine (PubChem CID 58853289) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-methylsulfanylphenyl)butyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(4-methylsulfanylphenyl)butyl]pyrazin-2-amine
PubChem CID58853289
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name6-chloro-N-[1-(4-methylsulfanylphenyl)butyl]pyrazin-2-amine
SMILESCCCC(Nc1cncc(Cl)n1)c1ccc(SC)cc1
InChIInChI=1S/C15H18ClN3S/c1-3-4-13(11-5-7-12(20-2)8-6-11)18-15-10-17-9-14(16)19-15/h5-10,13H,3-4H2,1-2H3,(H,18,19)
InChIKeyRXGMVNHCTFNXGM-UHFFFAOYSA-N
XLogP4.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-methylsulfanylphenyl)butyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[1-(4-methylsulfanylphenyl)butyl]pyrazin-2-amine (CID 58853289) is 6-chloro-N-[1-(4-methylsulfanylphenyl)butyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[1-(4-methylsulfanylphenyl)butyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[1-(4-methylsulfanylphenyl)butyl]pyrazin-2-amine is CCCC(Nc1cncc(Cl)n1)c1ccc(SC)cc1.
What is the InChIKey of 6-chloro-N-[1-(4-methylsulfanylphenyl)butyl]pyrazin-2-amine?
The InChIKey is RXGMVNHCTFNXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c1-3-4-13(11-5-7-12(20-2)8-6-11)18-15-10-17-9-14(16)19-15/h5-10,13H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 6-chloro-N-[1-(4-methylsulfanylphenyl)butyl]pyrazin-2-amine?
6-chloro-N-[1-(4-methylsulfanylphenyl)butyl]pyrazin-2-amine has a molecular weight of 307.85 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-methylsulfanylphenyl)butyl]pyrazin-2-amine is sourced from PubChem (CID 58853289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).