4-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide

C9H13BrN4O2 — CID 66310698

IUPAC4-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
SMILESCc1ncn(CCCC(=O)NN)c(=O)c1Br
InChIInChI=1S/C9H13BrN4O2/c1-6-8(10)9(16)14(5-12-6)4-2-3-7(15)13-11/h5H,2-4,11H2,1H3,(H,13,15)
InChIKeyIQDFYHJLYQDJCN-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.08
Rot. Bonds4

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

4-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide (PubChem CID 66310698) has the molecular formula C9H13BrN4O2 and a molecular weight of 289.13 g/mol. Its IUPAC name is 4-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
PubChem CID66310698
Molecular FormulaC9H13BrN4O2
Molecular Weight289.13 g/mol
Exact Mass288.02
IUPAC Name4-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
SMILESCc1ncn(CCCC(=O)NN)c(=O)c1Br
InChIInChI=1S/C9H13BrN4O2/c1-6-8(10)9(16)14(5-12-6)4-2-3-7(15)13-11/h5H,2-4,11H2,1H3,(H,13,15)
InChIKeyIQDFYHJLYQDJCN-UHFFFAOYSA-N
XLogP0.08
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.08
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 4-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide?
The IUPAC name of 4-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide (CID 66310698) is 4-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide.
What is the SMILES notation for 4-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide?
The canonical SMILES for 4-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide is Cc1ncn(CCCC(=O)NN)c(=O)c1Br.
What is the InChIKey of 4-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide?
The InChIKey is IQDFYHJLYQDJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O2/c1-6-8(10)9(16)14(5-12-6)4-2-3-7(15)13-11/h5H,2-4,11H2,1H3,(H,13,15).
What are the key properties of 4-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide?
4-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide has a molecular weight of 289.13 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide is sourced from PubChem (CID 66310698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).