1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea

C21H22N4O6 — CID 53118349

IUPAC1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea
SMILESCOc1cc(NC(=O)Nc2nccn(-c3ccc(OC)c(OC)c3)c2=O)cc(OC)c1
InChIInChI=1S/C21H22N4O6/c1-28-15-9-13(10-16(12-15)29-2)23-21(27)24-19-20(26)25(8-7-22-19)14-5-6-17(30-3)18(11-14)31-4/h5-12H,1-4H3,(H2,22,23,24,27)
InChIKeyDZPFHPUCZNUZBF-UHFFFAOYSA-N
MW426.43 g/mol
LogP2.91
Rot. Bonds7

About 1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea

1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea (PubChem CID 53118349) has the molecular formula C21H22N4O6 and a molecular weight of 426.43 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea
PubChem CID53118349
Molecular FormulaC21H22N4O6
Molecular Weight426.43 g/mol
Exact Mass426.15
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea
SMILESCOc1cc(NC(=O)Nc2nccn(-c3ccc(OC)c(OC)c3)c2=O)cc(OC)c1
InChIInChI=1S/C21H22N4O6/c1-28-15-9-13(10-16(12-15)29-2)23-21(27)24-19-20(26)25(8-7-22-19)14-5-6-17(30-3)18(11-14)31-4/h5-12H,1-4H3,(H2,22,23,24,27)
InChIKeyDZPFHPUCZNUZBF-UHFFFAOYSA-N
XLogP2.91
TPSA112.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide
CID 53118521
1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea
CID 53118262
1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one
CID 20941640
3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 18591886
1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
CID 53118323
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one
CID 20941622
N-(3,5-dimethoxyphenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18579515
1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea
CID 53118315
3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one
CID 112708403
4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941642
N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide
CID 22425056
1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one
CID 18591923

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea (CID 53118349) is 1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea is COc1cc(NC(=O)Nc2nccn(-c3ccc(OC)c(OC)c3)c2=O)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea?
The InChIKey is DZPFHPUCZNUZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6/c1-28-15-9-13(10-16(12-15)29-2)23-21(27)24-19-20(26)25(8-7-22-19)14-5-6-17(30-3)18(11-14)31-4/h5-12H,1-4H3,(H2,22,23,24,27).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea?
1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea has a molecular weight of 426.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea is sourced from PubChem (CID 53118349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).