1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea

C26H25N5O4 — CID 24879141

IUPAC1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea
SMILESCOc1cc(Nc2cncc(-c3ccc(NC(=O)Nc4ccccc4)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C26H25N5O4/c1-33-22-13-20(14-23(34-2)25(22)35-3)28-24-16-27-15-21(31-24)17-9-11-19(12-10-17)30-26(32)29-18-7-5-4-6-8-18/h4-16H,1-3H3,(H,28,31)(H2,29,30,32)
InChIKeyIGQDHCBOWJMFJV-UHFFFAOYSA-N
MW471.52 g/mol
LogP5.56
Rot. Bonds8

About 1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea

1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea (PubChem CID 24879141) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea
PubChem CID24879141
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea
SMILESCOc1cc(Nc2cncc(-c3ccc(NC(=O)Nc4ccccc4)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C26H25N5O4/c1-33-22-13-20(14-23(34-2)25(22)35-3)28-24-16-27-15-21(31-24)17-9-11-19(12-10-17)30-26(32)29-18-7-5-4-6-8-18/h4-16H,1-3H3,(H,28,31)(H2,29,30,32)
InChIKeyIGQDHCBOWJMFJV-UHFFFAOYSA-N
XLogP5.56
TPSA106.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 55.56
H-Bond Donors ≤ 53
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
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
7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 56668417
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
4-{6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}benzaldehyde
CID 11710340
6-(pyridin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879140

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea?
The IUPAC name of 1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea (CID 24879141) is 1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea.
What is the SMILES notation for 1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea?
The canonical SMILES for 1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea is COc1cc(Nc2cncc(-c3ccc(NC(=O)Nc4ccccc4)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea?
The InChIKey is IGQDHCBOWJMFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-33-22-13-20(14-23(34-2)25(22)35-3)28-24-16-27-15-21(31-24)17-9-11-19(12-10-17)30-26(32)29-18-7-5-4-6-8-18/h4-16H,1-3H3,(H,28,31)(H2,29,30,32).
What are the key properties of 1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea?
1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea has a molecular weight of 471.52 g/mol, XLogP of 5.56, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea is sourced from PubChem (CID 24879141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).