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

C26H25N5O5 — CID 59343415

IUPAC1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea
SMILESCOc1cc(Nc2cncc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C26H25N5O5/c1-33-21-13-19(14-22(34-2)25(21)35-3)28-23-15-27-16-24(31-23)36-20-11-9-18(10-12-20)30-26(32)29-17-7-5-4-6-8-17/h4-16H,1-3H3,(H,28,31)(H2,29,30,32)
InChIKeyMAIZGPDRMVXZLG-UHFFFAOYSA-N
MW487.52 g/mol
LogP5.68
Rot. Bonds9

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

1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea (PubChem CID 59343415) has the molecular formula C26H25N5O5 and a molecular weight of 487.52 g/mol. Its IUPAC name is 1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea
PubChem CID59343415
Molecular FormulaC26H25N5O5
Molecular Weight487.52 g/mol
Exact Mass487.19
IUPAC Name1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea
SMILESCOc1cc(Nc2cncc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C26H25N5O5/c1-33-21-13-19(14-22(34-2)25(21)35-3)28-23-15-27-16-24(31-23)36-20-11-9-18(10-12-20)30-26(32)29-17-7-5-4-6-8-17/h4-16H,1-3H3,(H,28,31)(H2,29,30,32)
InChIKeyMAIZGPDRMVXZLG-UHFFFAOYSA-N
XLogP5.68
TPSA115.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.52
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea
CID 59343418
6-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 59343474
N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide
CID 24879331
6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 143250191
1-[3-(trifluoromethyl)phenyl]-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea
CID 59343431
1-(4-methoxyquinolin-2-yl)-3-phenylurea
CID 134098367
6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 11609049
1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122310300
1-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122309166
N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109162123
1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113020117
1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 122303901

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea?
The IUPAC name of 1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea (CID 59343415) is 1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea.
What is the SMILES notation for 1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea?
The canonical SMILES for 1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea is COc1cc(Nc2cncc(Oc3ccc(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]oxyphenyl]urea?
The InChIKey is MAIZGPDRMVXZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O5/c1-33-21-13-19(14-22(34-2)25(21)35-3)28-23-15-27-16-24(31-23)36-20-11-9-18(10-12-20)30-26(32)29-17-7-5-4-6-8-17/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]oxyphenyl]urea?
1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea has a molecular weight of 487.52 g/mol, XLogP of 5.68, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea is sourced from PubChem (CID 59343415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).