6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine

C25H25N3O4 — CID 143250191

IUPAC6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESC=C/C=C(\C=C)c1ccc(Oc2cncc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C25H25N3O4/c1-6-8-17(7-2)18-9-11-20(12-10-18)32-24-16-26-15-23(28-24)27-19-13-21(29-3)25(31-5)22(14-19)30-4/h6-16H,1-2H2,3-5H3,(H,27,28)/b17-8+
InChIKeyPDROYULINQMEHB-CAOOACKPSA-N
MW431.49 g/mol
LogP5.79
Rot. Bonds10

About 6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine

6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (PubChem CID 143250191) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
PubChem CID143250191
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESC=C/C=C(\C=C)c1ccc(Oc2cncc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C25H25N3O4/c1-6-8-17(7-2)18-9-11-20(12-10-18)32-24-16-26-15-23(28-24)27-19-13-21(29-3)25(31-5)22(14-19)30-4/h6-16H,1-2H2,3-5H3,(H,27,28)/b17-8+
InChIKeyPDROYULINQMEHB-CAOOACKPSA-N
XLogP5.79
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea
CID 59343415
6-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 59343474
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea
CID 59343418
6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 146511671
6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 11609049
N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide
CID 24879331
4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine
CID 143250214
3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol
CID 11595532
[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol
CID 11710382
N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide
CID 87201830
6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane
CID 143250197

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The IUPAC name of 6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (CID 143250191) is 6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is C=C/C=C(\C=C)c1ccc(Oc2cncc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1.
What is the InChIKey of 6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The InChIKey is PDROYULINQMEHB-CAOOACKPSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-6-8-17(7-2)18-9-11-20(12-10-18)32-24-16-26-15-23(28-24)27-19-13-21(29-3)25(31-5)22(14-19)30-4/h6-16H,1-2H2,3-5H3,(H,27,28)/b17-8+.
What are the key properties of 6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine has a molecular weight of 431.49 g/mol, XLogP of 5.79, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 143250191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).