3-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide

C9H13BrN4O3 — CID 79630896

IUPAC3-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide
SMILESCC(C)(Cn1cc(Br)c(=O)[nH]c1=O)C(=O)NN
InChIInChI=1S/C9H13BrN4O3/c1-9(2,7(16)13-11)4-14-3-5(10)6(15)12-8(14)17/h3H,4,11H2,1-2H3,(H,13,16)(H,12,15,17)
InChIKeyYJXLRDDKHWSRLJ-UHFFFAOYSA-N
MW305.13 g/mol
LogP-0.68
Rot. Bonds3

About 3-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide

3-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide (PubChem CID 79630896) has the molecular formula C9H13BrN4O3 and a molecular weight of 305.13 g/mol. Its IUPAC name is 3-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide
PubChem CID79630896
Molecular FormulaC9H13BrN4O3
Molecular Weight305.13 g/mol
Exact Mass304.02
IUPAC Name3-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide
SMILESCC(C)(Cn1cc(Br)c(=O)[nH]c1=O)C(=O)NN
InChIInChI=1S/C9H13BrN4O3/c1-9(2,7(16)13-11)4-14-3-5(10)6(15)12-8(14)17/h3H,4,11H2,1-2H3,(H,13,16)(H,12,15,17)
InChIKeyYJXLRDDKHWSRLJ-UHFFFAOYSA-N
XLogP-0.68
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
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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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide
CID 119522456
1-[2-(5-bromo-2,4-dioxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63778164
2,2-dimethyl-3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide
CID 79631373
5-bromo-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 63779091
3-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]benzohydrazide
CID 63777633
3-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63778341
5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 55236529
2,2-dimethyl-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanehydrazide
CID 79631179
N-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide
CID 120506605
3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide
CID 104506066
5-bromo-1-octylpyrimidine-2,4-dione
CID 55237695
5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 63778343

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide (CID 79630896) is 3-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide is CC(C)(Cn1cc(Br)c(=O)[nH]c1=O)C(=O)NN.
What is the InChIKey of 3-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide?
The InChIKey is YJXLRDDKHWSRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O3/c1-9(2,7(16)13-11)4-14-3-5(10)6(15)12-8(14)17/h3H,4,11H2,1-2H3,(H,13,16)(H,12,15,17).
What are the key properties of 3-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide?
3-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide has a molecular weight of 305.13 g/mol, XLogP of -0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79630896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).