1-(2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea

C13H14N4O3 — CID 17380652

IUPAC1-(2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea
SMILESCOc1ccc(NC(=O)Nc2cnccn2)c(OC)c1
InChIInChI=1S/C13H14N4O3/c1-19-9-3-4-10(11(7-9)20-2)16-13(18)17-12-8-14-5-6-15-12/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyOMFYUXMSKKADNA-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.14
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea

1-(2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea (PubChem CID 17380652) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea
PubChem CID17380652
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name1-(2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea
SMILESCOc1ccc(NC(=O)Nc2cnccn2)c(OC)c1
InChIInChI=1S/C13H14N4O3/c1-19-9-3-4-10(11(7-9)20-2)16-13(18)17-12-8-14-5-6-15-12/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyOMFYUXMSKKADNA-UHFFFAOYSA-N
XLogP2.14
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Chloro-2,4-dimethoxyphenyl)-3-(5-cyanopyrazin-2-YL)urea
CID 16122643
1-(2,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea
CID 6539193
N-(5-Chloro-2,4-dimethoxyphenyl)-N'-pyrazin-2-ylurea
CID 18449135
1-(2,4-Dimethoxyphenyl)-3-(6-methylpyridin-2-yl)urea
CID 769338
1-(2-Methoxyphenyl)-3-(5-methylpyridin-2-yl)urea
CID 808195
1-(5-Chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea
CID 3427828
1-(4-Methoxyphenyl)-3-pyrazin-2-ylurea
CID 6466040
(2-Methoxy-4-nitrophenyl)-3-pyrazin-2-yl-urea
CID 22046313
XL844
CID 10016910
2-[4-(2-Methoxyphenyl)piperazin-1-yl]pyrazine
CID 2573790
1-(2-Ethoxyphenyl)-3-pyridin-2-ylurea
CID 6466207
1-(2,4-Dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 6467636

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea (CID 17380652) is 1-(2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea is COc1ccc(NC(=O)Nc2cnccn2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea?
The InChIKey is OMFYUXMSKKADNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-19-9-3-4-10(11(7-9)20-2)16-13(18)17-12-8-14-5-6-15-12/h3-8H,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea?
1-(2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea has a molecular weight of 274.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 17380652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).