3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine

C14H16ClN3S — CID 106193058

IUPAC3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine
SMILESCc1nc(Cl)c(NCCSc2ccccc2)nc1C
InChIInChI=1S/C14H16ClN3S/c1-10-11(2)18-14(13(15)17-10)16-8-9-19-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,18)
InChIKeyXXZAQGQOVKHOSM-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.95
Rot. Bonds5

About 3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine

3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine (PubChem CID 106193058) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine
PubChem CID106193058
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine
SMILESCc1nc(Cl)c(NCCSc2ccccc2)nc1C
InChIInChI=1S/C14H16ClN3S/c1-10-11(2)18-14(13(15)17-10)16-8-9-19-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,18)
InChIKeyXXZAQGQOVKHOSM-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-methyl-5-nitro-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 106193078
2-chloro-N-(2-phenylsulfanylethyl)quinazolin-4-amine
CID 12827448
2-chloro-3-methyl-N-(2-phenylsulfanylethyl)aniline
CID 114252002
5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-2-amine
CID 63208478
4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine
CID 115354984
3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine
CID 113228928
6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 66326429
N-(2-phenylsulfanylethyl)-4-propan-2-ylaniline
CID 79211777
2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine
CID 63535075
3-bromo-N-(2-phenylsulfanylethyl)pyridin-2-amine
CID 61375421
4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine
CID 115974555
2,4-dimethyl-6-(2-phenylsulfanylethylamino)-1,2,4-triazine-3,5-dione
CID 60667143

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine?
The IUPAC name of 3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine (CID 106193058) is 3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine is Cc1nc(Cl)c(NCCSc2ccccc2)nc1C.
What is the InChIKey of 3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine?
The InChIKey is XXZAQGQOVKHOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-10-11(2)18-14(13(15)17-10)16-8-9-19-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,18).
What are the key properties of 3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine?
3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine has a molecular weight of 293.82 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine is sourced from PubChem (CID 106193058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).