6-(4-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine

C19H20N4O3 — CID 11515868

IUPAC6-(4-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cc(Nc2cncc(-c3ccc(N)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H20N4O3/c1-24-16-8-14(9-17(25-2)19(16)26-3)22-18-11-21-10-15(23-18)12-4-6-13(20)7-5-12/h4-11H,20H2,1-3H3,(H,22,23)
InChIKeyOKAWYHVOGBWCPN-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.50
Rot. Bonds6

About 6-(4-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine

6-(4-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (PubChem CID 11515868) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 6-(4-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(4-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
PubChem CID11515868
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name6-(4-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cc(Nc2cncc(-c3ccc(N)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H20N4O3/c1-24-16-8-14(9-17(25-2)19(16)26-3)22-18-11-21-10-15(23-18)12-4-6-13(20)7-5-12/h4-11H,20H2,1-3H3,(H,22,23)
InChIKeyOKAWYHVOGBWCPN-UHFFFAOYSA-N
XLogP3.50
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(5,6-Dimethyl-2,2'-Bipyridin-3-Yl)oxy]-N-(3,4,5-Trimethoxyphenyl)pyridin-2-Amine
CID 44201376
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
2,4-Disubstituted Pyrimidine 2h
CID 5329421
5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 9886746
N-(3-{5-[(3,4,5-trimethoxyphenyl)amino]pyridin-3-yl}phenyl)acetamide
CID 11574718
4-[6-(3,4,5-Trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
N*1*-{5-[2-(3,4,5-Trimethoxy-phenylamino)-pyrimidin-4-yl]-pyridin-2-yl}-ethane-1,2-diamine
CID 15550318
4-(2-Anilinopyridin-3-Yl)-N-(3,4,5-Trimethoxyphenyl)-1,3,5-Triazin-2-Amine
CID 16040288
4-(6-Methyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3,4,5-trimethoxy-phenyl)pyridin-2-amine
CID 44521014
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521015
7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 56668417

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The IUPAC name of 6-(4-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (CID 11515868) is 6-(4-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 6-(4-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 6-(4-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is COc1cc(Nc2cncc(-c3ccc(N)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 6-(4-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The InChIKey is OKAWYHVOGBWCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-24-16-8-14(9-17(25-2)19(16)26-3)22-18-11-21-10-15(23-18)12-4-6-13(20)7-5-12/h4-11H,20H2,1-3H3,(H,22,23).
What are the key properties of 6-(4-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
6-(4-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine has a molecular weight of 352.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 11515868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).