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

C13H14N4O3 — CID 17381636

IUPAC1-(3,4-dimethoxyphenyl)-3-pyrazin-2-ylurea
SMILESCOc1ccc(NC(=O)Nc2cnccn2)cc1OC
InChIInChI=1S/C13H14N4O3/c1-19-10-4-3-9(7-11(10)20-2)16-13(18)17-12-8-14-5-6-15-12/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyJABAGFNZVOBGMB-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.14
Rot. Bonds4

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

1-(3,4-dimethoxyphenyl)-3-pyrazin-2-ylurea (PubChem CID 17381636) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-pyrazin-2-ylurea
PubChem CID17381636
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name1-(3,4-dimethoxyphenyl)-3-pyrazin-2-ylurea
SMILESCOc1ccc(NC(=O)Nc2cnccn2)cc1OC
InChIInChI=1S/C13H14N4O3/c1-19-10-4-3-9(7-11(10)20-2)16-13(18)17-12-8-14-5-6-15-12/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyJABAGFNZVOBGMB-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-pyrazin-2-ylurea (CID 17381636) is 1-(3,4-dimethoxyphenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-pyrazin-2-ylurea is COc1ccc(NC(=O)Nc2cnccn2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-pyrazin-2-ylurea?
The InChIKey is JABAGFNZVOBGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-19-10-4-3-9(7-11(10)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-(3,4-dimethoxyphenyl)-3-pyrazin-2-ylurea?
1-(3,4-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-(3,4-dimethoxyphenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 17381636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).