2-(5-bromo-6-oxopyrimidin-1-yl)propanehydrazide

C7H9BrN4O2 — CID 66310004

IUPAC2-(5-bromo-6-oxopyrimidin-1-yl)propanehydrazide
SMILESCC(C(=O)NN)n1cncc(Br)c1=O
InChIInChI=1S/C7H9BrN4O2/c1-4(6(13)11-9)12-3-10-2-5(8)7(12)14/h2-4H,9H2,1H3,(H,11,13)
InChIKeyLINUYAKYRVLRQM-UHFFFAOYSA-N
MW261.08 g/mol
LogP-0.44
Rot. Bonds2

About 2-(5-bromo-6-oxopyrimidin-1-yl)propanehydrazide

2-(5-bromo-6-oxopyrimidin-1-yl)propanehydrazide (PubChem CID 66310004) has the molecular formula C7H9BrN4O2 and a molecular weight of 261.08 g/mol. Its IUPAC name is 2-(5-bromo-6-oxopyrimidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(5-bromo-6-oxopyrimidin-1-yl)propanehydrazide
PubChem CID66310004
Molecular FormulaC7H9BrN4O2
Molecular Weight261.08 g/mol
Exact Mass259.99
IUPAC Name2-(5-bromo-6-oxopyrimidin-1-yl)propanehydrazide
SMILESCC(C(=O)NN)n1cncc(Br)c1=O
InChIInChI=1S/C7H9BrN4O2/c1-4(6(13)11-9)12-3-10-2-5(8)7(12)14/h2-4H,9H2,1H3,(H,11,13)
InChIKeyLINUYAKYRVLRQM-UHFFFAOYSA-N
XLogP-0.44
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)propanehydrazide?
The IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)propanehydrazide (CID 66310004) is 2-(5-bromo-6-oxopyrimidin-1-yl)propanehydrazide.
What is the SMILES notation for 2-(5-bromo-6-oxopyrimidin-1-yl)propanehydrazide?
The canonical SMILES for 2-(5-bromo-6-oxopyrimidin-1-yl)propanehydrazide is CC(C(=O)NN)n1cncc(Br)c1=O.
What is the InChIKey of 2-(5-bromo-6-oxopyrimidin-1-yl)propanehydrazide?
The InChIKey is LINUYAKYRVLRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4O2/c1-4(6(13)11-9)12-3-10-2-5(8)7(12)14/h2-4H,9H2,1H3,(H,11,13).
What are the key properties of 2-(5-bromo-6-oxopyrimidin-1-yl)propanehydrazide?
2-(5-bromo-6-oxopyrimidin-1-yl)propanehydrazide has a molecular weight of 261.08 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-oxopyrimidin-1-yl)propanehydrazide is sourced from PubChem (CID 66310004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).