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

C25H23N3O4 — CID 59343474

IUPAC6-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cc(Nc2cncc(Oc3cccc(-c4ccccc4)c3)n2)cc(OC)c1OC
InChIInChI=1S/C25H23N3O4/c1-29-21-13-19(14-22(30-2)25(21)31-3)27-23-15-26-16-24(28-23)32-20-11-7-10-18(12-20)17-8-5-4-6-9-17/h4-16H,1-3H3,(H,27,28)
InChIKeyVHLGYBWZEIJWMK-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.71
Rot. Bonds8

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

6-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (PubChem CID 59343474) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
PubChem CID59343474
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name6-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cc(Nc2cncc(Oc3cccc(-c4ccccc4)c3)n2)cc(OC)c1OC
InChIInChI=1S/C25H23N3O4/c1-29-21-13-19(14-22(30-2)25(21)31-3)27-23-15-26-16-24(28-23)32-20-11-7-10-18(12-20)17-8-5-4-6-9-17/h4-16H,1-3H3,(H,27,28)
InChIKeyVHLGYBWZEIJWMK-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

1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea
CID 59343415
6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 146511671
3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol
CID 11595532
6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 143250191
6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 11609049
6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane
CID 143250197
6-(2-phenoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 10137412
6-(3-ethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 10110306
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea
CID 59343418
N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide
CID 24879331
3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952768
N-(3,4,5-trimethoxyphenyl)quinolin-2-amine
CID 57393025

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The IUPAC name of 6-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (CID 59343474) is 6-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 6-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 6-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is COc1cc(Nc2cncc(Oc3cccc(-c4ccccc4)c3)n2)cc(OC)c1OC.
What is the InChIKey of 6-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The InChIKey is VHLGYBWZEIJWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-29-21-13-19(14-22(30-2)25(21)31-3)27-23-15-26-16-24(28-23)32-20-11-7-10-18(12-20)17-8-5-4-6-9-17/h4-16H,1-3H3,(H,27,28).
What are the key properties of 6-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
6-(3-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-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 59343474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).