2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide

C7H9IN4O2 — CID 66341127

IUPAC2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide
SMILESCc1ncn(CC(=O)NN)c(=O)c1I
InChIInChI=1S/C7H9IN4O2/c1-4-6(8)7(14)12(3-10-4)2-5(13)11-9/h3H,2,9H2,1H3,(H,11,13)
InChIKeyUJLWYHLLXOHBLZ-UHFFFAOYSA-N
MW308.08 g/mol
LogP-0.85
Rot. Bonds2

About 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide

2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide (PubChem CID 66341127) has the molecular formula C7H9IN4O2 and a molecular weight of 308.08 g/mol. Its IUPAC name is 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide
PubChem CID66341127
Molecular FormulaC7H9IN4O2
Molecular Weight308.08 g/mol
Exact Mass307.98
IUPAC Name2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide
SMILESCc1ncn(CC(=O)NN)c(=O)c1I
InChIInChI=1S/C7H9IN4O2/c1-4-6(8)7(14)12(3-10-4)2-5(13)11-9/h3H,2,9H2,1H3,(H,11,13)
InChIKeyUJLWYHLLXOHBLZ-UHFFFAOYSA-N
XLogP-0.85
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.08
LogP ≤ 5-0.85
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': 'iodine', '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-iodo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide?
The IUPAC name of 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide (CID 66341127) is 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide.
What is the SMILES notation for 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide?
The canonical SMILES for 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide is Cc1ncn(CC(=O)NN)c(=O)c1I.
What is the InChIKey of 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide?
The InChIKey is UJLWYHLLXOHBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN4O2/c1-4-6(8)7(14)12(3-10-4)2-5(13)11-9/h3H,2,9H2,1H3,(H,11,13).
What are the key properties of 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide?
2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide has a molecular weight of 308.08 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide is sourced from PubChem (CID 66341127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).