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

C19H20N4O4 — CID 135923565

IUPAC4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenol
SMILESCOc1cc(Nc2cncc(Nc3ccc(O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H20N4O4/c1-25-15-8-13(9-16(26-2)19(15)27-3)22-18-11-20-10-17(23-18)21-12-4-6-14(24)7-5-12/h4-11,24H,1-3H3,(H2,21,22,23)
InChIKeyLNDAKQXMRORUPY-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.70
Rot. Bonds7

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

4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenol (PubChem CID 135923565) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenol
PubChem CID135923565
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenol
SMILESCOc1cc(Nc2cncc(Nc3ccc(O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H20N4O4/c1-25-15-8-13(9-16(26-2)19(15)27-3)22-18-11-20-10-17(23-18)21-12-4-6-14(24)7-5-12/h4-11,24H,1-3H3,(H2,21,22,23)
InChIKeyLNDAKQXMRORUPY-UHFFFAOYSA-N
XLogP3.70
TPSA97.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-Pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521016
4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521017
4-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521018
1-(3-(1H-Imidazol-1-yl)propyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 6539195
4-(2-Anilinopyridin-3-Yl)-N-(3,4,5-Trimethoxyphenyl)-1,3,5-Triazin-2-Amine
CID 16040288
3-{6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}phenol
CID 11595532
3-{6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}benzonitrile
CID 11624721
Acetamide, N-[3-[6-[(3,4,5-trimethoxyphenyl)amino]pyrazinyl]phenyl]-
CID 11682654
6-(pyridin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879140
1-Phenyl-3-(4-{6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}phenyl)urea
CID 24879141
2-(3,4,5-Trimethoxyphenylamino)-6-(4-acetamidophenyl-oxy)-pyrazine
CID 24879264
N2-(pyridin-4-yl)-N6-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine
CID 24879390

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenol?
The IUPAC name of 4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenol (CID 135923565) is 4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenol.
What is the SMILES notation for 4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenol?
The canonical SMILES for 4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenol is COc1cc(Nc2cncc(Nc3ccc(O)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenol?
The InChIKey is LNDAKQXMRORUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-25-15-8-13(9-16(26-2)19(15)27-3)22-18-11-20-10-17(23-18)21-12-4-6-14(24)7-5-12/h4-11,24H,1-3H3,(H2,21,22,23).
What are the key properties of 4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenol?
4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenol has a molecular weight of 368.39 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenol is sourced from PubChem (CID 135923565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).