6-[2-(4-bromophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione

C10H9BrN4O2 — CID 90678607

IUPAC6-[2-(4-bromophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NNc2ccc(Br)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H9BrN4O2/c11-6-1-3-7(4-2-6)14-15-8-5-9(16)13-10(17)12-8/h1-5,14H,(H3,12,13,15,16,17)
InChIKeyPEZUDHIBFVTZER-UHFFFAOYSA-N
MW297.11 g/mol
LogP1.26
Rot. Bonds3

About 6-[2-(4-bromophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione

6-[2-(4-bromophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione (PubChem CID 90678607) has the molecular formula C10H9BrN4O2 and a molecular weight of 297.11 g/mol. Its IUPAC name is 6-[2-(4-bromophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(4-bromophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
PubChem CID90678607
Molecular FormulaC10H9BrN4O2
Molecular Weight297.11 g/mol
Exact Mass295.99
IUPAC Name6-[2-(4-bromophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NNc2ccc(Br)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H9BrN4O2/c11-6-1-3-7(4-2-6)14-15-8-5-9(16)13-10(17)12-8/h1-5,14H,(H3,12,13,15,16,17)
InChIKeyPEZUDHIBFVTZER-UHFFFAOYSA-N
XLogP1.26
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-bromophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(4-bromophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione (CID 90678607) is 6-[2-(4-bromophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(4-bromophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(4-bromophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione is O=c1cc(NNc2ccc(Br)cc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[2-(4-bromophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The InChIKey is PEZUDHIBFVTZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2/c11-6-1-3-7(4-2-6)14-15-8-5-9(16)13-10(17)12-8/h1-5,14H,(H3,12,13,15,16,17).
What are the key properties of 6-[2-(4-bromophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
6-[2-(4-bromophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione has a molecular weight of 297.11 g/mol, XLogP of 1.26, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-bromophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90678607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).