2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide

C8H11BrN4O2 — CID 66310053

IUPAC2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
SMILESCc1ncn(C(C)C(=O)NN)c(=O)c1Br
InChIInChI=1S/C8H11BrN4O2/c1-4-6(9)8(15)13(3-11-4)5(2)7(14)12-10/h3,5H,10H2,1-2H3,(H,12,14)
InChIKeyBHHSCUVEDJRVRP-UHFFFAOYSA-N
MW275.11 g/mol
LogP-0.13
Rot. Bonds2

About 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide (PubChem CID 66310053) has the molecular formula C8H11BrN4O2 and a molecular weight of 275.11 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
PubChem CID66310053
Molecular FormulaC8H11BrN4O2
Molecular Weight275.11 g/mol
Exact Mass274.01
IUPAC Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
SMILESCc1ncn(C(C)C(=O)NN)c(=O)c1Br
InChIInChI=1S/C8H11BrN4O2/c1-4-6(9)8(15)13(3-11-4)5(2)7(14)12-10/h3,5H,10H2,1-2H3,(H,12,14)
InChIKeyBHHSCUVEDJRVRP-UHFFFAOYSA-N
XLogP-0.13
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 5-0.13
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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Related Compounds

2-(4-Methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 63574136
2-(5-Bromo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 66309685
2-(5-Bromo-6-oxopyrimidin-1-yl)propanehydrazide
CID 66310004
3-(5-Bromo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 66310055
2-(5-Bromo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide
CID 66310270
4-(5-Bromo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
CID 66310698
2-(5-Iodo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 66340897
2-(5-Iodo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide
CID 66341127
2-(5-Bromo-4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetohydrazide
CID 70676534
3-(5-Bromo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide
CID 79631745

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
The IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide (CID 66310053) is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide.
What is the SMILES notation for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
The canonical SMILES for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide is Cc1ncn(C(C)C(=O)NN)c(=O)c1Br.
What is the InChIKey of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
The InChIKey is BHHSCUVEDJRVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O2/c1-4-6(9)8(15)13(3-11-4)5(2)7(14)12-10/h3,5H,10H2,1-2H3,(H,12,14).
What are the key properties of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide has a molecular weight of 275.11 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide is sourced from PubChem (CID 66310053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).