2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine

C13H14N2O2S — CID 10038347

IUPAC2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine
SMILESCOc1ccc(CSc2nccnc2OC)cc1
InChIInChI=1S/C13H14N2O2S/c1-16-11-5-3-10(4-6-11)9-18-13-12(17-2)14-7-8-15-13/h3-8H,9H2,1-2H3
InChIKeyOEPWKIUJHXXROG-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.79
Rot. Bonds5

About 2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine

2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine (PubChem CID 10038347) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine.

Molecular Properties

Compound Name2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine
PubChem CID10038347
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine
SMILESCOc1ccc(CSc2nccnc2OC)cc1
InChIInChI=1S/C13H14N2O2S/c1-16-11-5-3-10(4-6-11)9-18-13-12(17-2)14-7-8-15-13/h3-8H,9H2,1-2H3
InChIKeyOEPWKIUJHXXROG-UHFFFAOYSA-N
XLogP2.79
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(Z)-2-[5-[(4-methoxyphenyl)methylsulfanyl]pyrimidin-2-yl]ethenamine
CID 168898446
2-[5-[(4-methoxyphenyl)methylsulfanyl]pyrimidin-2-yl]ethenamine
CID 174076896
3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine
CID 168898782
3-[(4-ethenylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)pyrazin-2-one
CID 46337703
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine
CID 27372827
3-[(4-methoxyphenyl)methylsulfanyl]pyrazolo[5,4-b]pyridine-1-carboxylic acid
CID 175581070
ethane;(4-methoxyphenyl)methanethiol
CID 143963839
2-[(4-methoxyphenyl)methylsulfanyl]pyridine-4-carboxylic acid
CID 61300099
2-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazo[1,2-a]pyridine
CID 150393397
[5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol
CID 175134378
2-[(4-methoxyphenyl)methylsulfanyl]-1-methylpyridin-1-ium chloride
CID 13434923

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine?
The IUPAC name of 2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine (CID 10038347) is 2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine.
What is the SMILES notation for 2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine?
The canonical SMILES for 2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine is COc1ccc(CSc2nccnc2OC)cc1.
What is the InChIKey of 2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine?
The InChIKey is OEPWKIUJHXXROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-16-11-5-3-10(4-6-11)9-18-13-12(17-2)14-7-8-15-13/h3-8H,9H2,1-2H3.
What are the key properties of 2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine?
2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine has a molecular weight of 262.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine is sourced from PubChem (CID 10038347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).