5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine

C18H17N3OS — CID 66848885

IUPAC5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine
SMILESCOc1ccc(-c2cnc(N)c(Sc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C18H17N3OS/c1-12-3-9-15(10-4-12)23-18-17(19)20-11-16(21-18)13-5-7-14(22-2)8-6-13/h3-11H,1-2H3,(H2,19,20)
InChIKeyFBVXEJMYZIDLEY-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.19
Rot. Bonds4

About 5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine

5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine (PubChem CID 66848885) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine
PubChem CID66848885
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine
SMILESCOc1ccc(-c2cnc(N)c(Sc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C18H17N3OS/c1-12-3-9-15(10-4-12)23-18-17(19)20-11-16(21-18)13-5-7-14(22-2)8-6-13/h3-11H,1-2H3,(H2,19,20)
InChIKeyFBVXEJMYZIDLEY-UHFFFAOYSA-N
XLogP4.19
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80883561
3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazin-2-amine
CID 142945202
5-[4-(4-methoxyphenyl)phenyl]pyrazin-2-amine
CID 25140980
3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane
CID 153387650
2-tert-butyl-6-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80991175
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole
CID 12832321
4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine
CID 142740939
1-(113C)methoxy-4-methylbenzene
CID 166176950
bis(4-methoxyphenyl)-[4-[4-[(4-methoxyphenyl)-(4-methylphenyl)sulfonio]phenyl]sulfanylphenyl]sulfanium
CID 159907768
2-(4-methoxyphenyl)-6,7-dimethylquinoxaline
CID 102082916
4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine
CID 162358682
3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine
CID 58567146

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine (CID 66848885) is 5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine is COc1ccc(-c2cnc(N)c(Sc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine?
The InChIKey is FBVXEJMYZIDLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-3-9-15(10-4-12)23-18-17(19)20-11-16(21-18)13-5-7-14(22-2)8-6-13/h3-11H,1-2H3,(H2,19,20).
What are the key properties of 5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine?
5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine has a molecular weight of 323.42 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine is sourced from PubChem (CID 66848885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).