1-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]-3-phenylurea

C17H13BrN4O2 — CID 53118270

IUPAC1-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1nccn(-c2ccc(Br)cc2)c1=O
InChIInChI=1S/C17H13BrN4O2/c18-12-6-8-14(9-7-12)22-11-10-19-15(16(22)23)21-17(24)20-13-4-2-1-3-5-13/h1-11H,(H2,19,20,21,24)
InChIKeyPZTJHBXUAYKOFN-UHFFFAOYSA-N
MW385.22 g/mol
LogP3.64
Rot. Bonds3

About 1-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]-3-phenylurea

1-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]-3-phenylurea (PubChem CID 53118270) has the molecular formula C17H13BrN4O2 and a molecular weight of 385.22 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]-3-phenylurea
PubChem CID53118270
Molecular FormulaC17H13BrN4O2
Molecular Weight385.22 g/mol
Exact Mass384.02
IUPAC Name1-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1nccn(-c2ccc(Br)cc2)c1=O
InChIInChI=1S/C17H13BrN4O2/c18-12-6-8-14(9-7-12)22-11-10-19-15(16(22)23)21-17(24)20-13-4-2-1-3-5-13/h1-11H,(H2,19,20,21,24)
InChIKeyPZTJHBXUAYKOFN-UHFFFAOYSA-N
XLogP3.64
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]-3-phenylurea?
The IUPAC name of 1-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]-3-phenylurea (CID 53118270) is 1-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]-3-phenylurea?
The canonical SMILES for 1-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]-3-phenylurea is O=C(Nc1ccccc1)Nc1nccn(-c2ccc(Br)cc2)c1=O.
What is the InChIKey of 1-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]-3-phenylurea?
The InChIKey is PZTJHBXUAYKOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O2/c18-12-6-8-14(9-7-12)22-11-10-19-15(16(22)23)21-17(24)20-13-4-2-1-3-5-13/h1-11H,(H2,19,20,21,24).
What are the key properties of 1-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]-3-phenylurea?
1-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]-3-phenylurea has a molecular weight of 385.22 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]-3-phenylurea is sourced from PubChem (CID 53118270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).