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

C25H23N3O4 — CID 24879527

IUPAC6-(2-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cc(Nc2cncc(Oc3ccccc3-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C25H23N3O4/c1-29-21-13-18(14-22(30-2)25(21)31-3)27-23-15-26-16-24(28-23)32-20-12-8-7-11-19(20)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,27,28)
InChIKeyOECAUKNWGCZXRA-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.71
Rot. Bonds8

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

6-(2-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (PubChem CID 24879527) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-(2-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(2-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
PubChem CID24879527
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name6-(2-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cc(Nc2cncc(Oc3ccccc3-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C25H23N3O4/c1-29-21-13-18(14-22(30-2)25(21)31-3)27-23-15-26-16-24(28-23)32-20-12-8-7-11-19(20)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,27,28)
InChIKeyOECAUKNWGCZXRA-UHFFFAOYSA-N
XLogP5.71
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.71
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
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
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
1-Phenyl-3-(4-{6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}phenyl)urea
CID 24879141
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

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The IUPAC name of 6-(2-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (CID 24879527) is 6-(2-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 6-(2-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 6-(2-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is COc1cc(Nc2cncc(Oc3ccccc3-c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of 6-(2-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The InChIKey is OECAUKNWGCZXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-29-21-13-18(14-22(30-2)25(21)31-3)27-23-15-26-16-24(28-23)32-20-12-8-7-11-19(20)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,27,28).
What are the key properties of 6-(2-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
6-(2-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine has a molecular weight of 429.48 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 24879527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).