6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine

C12H13N3OS — CID 80884185

IUPAC6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine
SMILESCNc1cncc(Sc2cccc(OC)c2)n1
InChIInChI=1S/C12H13N3OS/c1-13-11-7-14-8-12(15-11)17-10-5-3-4-9(6-10)16-2/h3-8H,1-2H3,(H,13,15)
InChIKeyQPMCBYKHLJRGRP-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.68
Rot. Bonds4

About 6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine

6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine (PubChem CID 80884185) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine
PubChem CID80884185
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine
SMILESCNc1cncc(Sc2cccc(OC)c2)n1
InChIInChI=1S/C12H13N3OS/c1-13-11-7-14-8-12(15-11)17-10-5-3-4-9(6-10)16-2/h3-8H,1-2H3,(H,13,15)
InChIKeyQPMCBYKHLJRGRP-UHFFFAOYSA-N
XLogP2.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxyphenyl)sulfanylpyrazin-2-amine
CID 80646798
6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile
CID 86072604
6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775008
4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine
CID 113368207
6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine
CID 80883462
4-(3-methoxyphenyl)sulfanyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566730
6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine
CID 80891522
2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine
CID 80939308
N-[[6-(3-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 80628623
3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile
CID 133334332
2-(3-methoxyphenyl)sulfanyl-7H-purine
CID 140979991
N-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrazin-2-amine
CID 80892411

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine?
The IUPAC name of 6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine (CID 80884185) is 6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine?
The canonical SMILES for 6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine is CNc1cncc(Sc2cccc(OC)c2)n1.
What is the InChIKey of 6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine?
The InChIKey is QPMCBYKHLJRGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-13-11-7-14-8-12(15-11)17-10-5-3-4-9(6-10)16-2/h3-8H,1-2H3,(H,13,15).
What are the key properties of 6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine?
6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine has a molecular weight of 247.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine is sourced from PubChem (CID 80884185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).