1-(4-methoxyphenyl)-3-pyrazin-2-ylurea

C12H12N4O2 — CID 6466040

IUPAC1-(4-methoxyphenyl)-3-pyrazin-2-ylurea
SMILESCOc1ccc(NC(=O)Nc2cnccn2)cc1
InChIInChI=1S/C12H12N4O2/c1-18-10-4-2-9(3-5-10)15-12(17)16-11-8-13-6-7-14-11/h2-8H,1H3,(H2,14,15,16,17)
InChIKeyNQIXULKWUYQEIB-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.13
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-pyrazin-2-ylurea

1-(4-methoxyphenyl)-3-pyrazin-2-ylurea (PubChem CID 6466040) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-pyrazin-2-ylurea
PubChem CID6466040
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name1-(4-methoxyphenyl)-3-pyrazin-2-ylurea
SMILESCOc1ccc(NC(=O)Nc2cnccn2)cc1
InChIInChI=1S/C12H12N4O2/c1-18-10-4-2-9(3-5-10)15-12(17)16-11-8-13-6-7-14-11/h2-8H,1H3,(H2,14,15,16,17)
InChIKeyNQIXULKWUYQEIB-UHFFFAOYSA-N
XLogP2.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(4-methoxyphenyl)-3-pyrazin-2-ylurea (CID 6466040) is 1-(4-methoxyphenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-pyrazin-2-ylurea is COc1ccc(NC(=O)Nc2cnccn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-pyrazin-2-ylurea?
The InChIKey is NQIXULKWUYQEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-10-4-2-9(3-5-10)15-12(17)16-11-8-13-6-7-14-11/h2-8H,1H3,(H2,14,15,16,17).
What are the key properties of 1-(4-methoxyphenyl)-3-pyrazin-2-ylurea?
1-(4-methoxyphenyl)-3-pyrazin-2-ylurea has a molecular weight of 244.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 6466040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).