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

C19H19N3O4 — CID 24879393

IUPAC6-phenoxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cc(Nc2cncc(Oc3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-23-15-9-13(10-16(24-2)19(15)25-3)21-17-11-20-12-18(22-17)26-14-7-5-4-6-8-14/h4-12H,1-3H3,(H,21,22)
InChIKeyJGFQXZNMHKPSME-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.04
Rot. Bonds7

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

6-phenoxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (PubChem CID 24879393) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6-phenoxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-phenoxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
PubChem CID24879393
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name6-phenoxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cc(Nc2cncc(Oc3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-23-15-9-13(10-16(24-2)19(15)25-3)21-17-11-20-12-18(22-17)26-14-7-5-4-6-8-14/h4-12H,1-3H3,(H,21,22)
InChIKeyJGFQXZNMHKPSME-UHFFFAOYSA-N
XLogP4.04
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-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
N-[5-({6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}oxy)naphthalen-1-yl]acetamide
CID 24879265
N-{4-[6-(3,4,5-trimethoxyphenylamino)pyrazin-2-yloxy]naphthalen-1-yl}acetamide
CID 24879328
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
6-(pyridin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879140
6-(naphthalen-1-yloxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879205
6-(quinolin-5-yloxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879208
6-(isoquinolin-5-yloxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879209

Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The IUPAC name of 6-phenoxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (CID 24879393) is 6-phenoxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 6-phenoxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 6-phenoxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is COc1cc(Nc2cncc(Oc3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of 6-phenoxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The InChIKey is JGFQXZNMHKPSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-23-15-9-13(10-16(24-2)19(15)25-3)21-17-11-20-12-18(22-17)26-14-7-5-4-6-8-14/h4-12H,1-3H3,(H,21,22).
What are the key properties of 6-phenoxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
6-phenoxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine has a molecular weight of 353.38 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 24879393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).