3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol

C19H19N3O4 — CID 11595532

IUPAC3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol
SMILESCOc1cc(Nc2cncc(-c3cccc(O)c3)n2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-24-16-8-13(9-17(25-2)19(16)26-3)21-18-11-20-10-15(22-18)12-5-4-6-14(23)7-12/h4-11,23H,1-3H3,(H,21,22)
InChIKeyHHKSDUPLCJQTDA-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.62
Rot. Bonds6

About 3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol

3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol (PubChem CID 11595532) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol.

Molecular Properties

Compound Name3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol
PubChem CID11595532
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol
SMILESCOc1cc(Nc2cncc(-c3cccc(O)c3)n2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-24-16-8-13(9-17(25-2)19(16)26-3)21-18-11-20-10-15(22-18)12-5-4-6-14(23)7-12/h4-11,23H,1-3H3,(H,21,22)
InChIKeyHHKSDUPLCJQTDA-UHFFFAOYSA-N
XLogP3.62
TPSA85.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane
CID 143250197
3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol
CID 68951423
[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol
CID 11710382
N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide
CID 155070797
4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide
CID 87201830
2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
CID 59343485
2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide
CID 66912565
6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 11609049
1-[3-(trifluoromethyl)phenyl]-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea
CID 59343431
(3-fluorophenyl)-[[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]carbamoyl]azanium
CID 148535392
6-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 59343474

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol?
The IUPAC name of 3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol (CID 11595532) is 3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol.
What is the SMILES notation for 3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol?
The canonical SMILES for 3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol is COc1cc(Nc2cncc(-c3cccc(O)c3)n2)cc(OC)c1OC.
What is the InChIKey of 3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol?
The InChIKey is HHKSDUPLCJQTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-24-16-8-13(9-17(25-2)19(16)26-3)21-18-11-20-10-15(22-18)12-5-4-6-14(23)7-12/h4-11,23H,1-3H3,(H,21,22).
What are the key properties of 3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol?
3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol has a molecular weight of 353.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol is sourced from PubChem (CID 11595532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).