6-(3-methoxyphenyl)sulfanylpyrazin-2-amine

C11H11N3OS — CID 80646798

IUPAC6-(3-methoxyphenyl)sulfanylpyrazin-2-amine
SMILESCOc1cccc(Sc2cncc(N)n2)c1
InChIInChI=1S/C11H11N3OS/c1-15-8-3-2-4-9(5-8)16-11-7-13-6-10(12)14-11/h2-7H,1H3,(H2,12,14)
InChIKeyDKKBFGPLNFTIFL-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.22
Rot. Bonds3

About 6-(3-methoxyphenyl)sulfanylpyrazin-2-amine

6-(3-methoxyphenyl)sulfanylpyrazin-2-amine (PubChem CID 80646798) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)sulfanylpyrazin-2-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)sulfanylpyrazin-2-amine
PubChem CID80646798
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name6-(3-methoxyphenyl)sulfanylpyrazin-2-amine
SMILESCOc1cccc(Sc2cncc(N)n2)c1
InChIInChI=1S/C11H11N3OS/c1-15-8-3-2-4-9(5-8)16-11-7-13-6-10(12)14-11/h2-7H,1H3,(H2,12,14)
InChIKeyDKKBFGPLNFTIFL-UHFFFAOYSA-N
XLogP2.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine
CID 80884185
6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile
CID 86072604
2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine
CID 43262702
4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80884012
3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine
CID 102988705
2-(3-methoxyphenyl)sulfanyl-7H-purine
CID 140979991
8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine
CID 103140873
2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine
CID 66280907
4-chloro-2-(3-methoxyphenyl)sulfanylaniline
CID 115469501
2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene
CID 18738972
6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine
CID 626823
3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile
CID 133334332

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)sulfanylpyrazin-2-amine?
The IUPAC name of 6-(3-methoxyphenyl)sulfanylpyrazin-2-amine (CID 80646798) is 6-(3-methoxyphenyl)sulfanylpyrazin-2-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)sulfanylpyrazin-2-amine?
The canonical SMILES for 6-(3-methoxyphenyl)sulfanylpyrazin-2-amine is COc1cccc(Sc2cncc(N)n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)sulfanylpyrazin-2-amine?
The InChIKey is DKKBFGPLNFTIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-15-8-3-2-4-9(5-8)16-11-7-13-6-10(12)14-11/h2-7H,1H3,(H2,12,14).
What are the key properties of 6-(3-methoxyphenyl)sulfanylpyrazin-2-amine?
6-(3-methoxyphenyl)sulfanylpyrazin-2-amine has a molecular weight of 233.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)sulfanylpyrazin-2-amine is sourced from PubChem (CID 80646798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).