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

C10H15BrN4O2 — CID 66307949

IUPAC5-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide
SMILESCc1ncn(CCCCC(=O)NN)c(=O)c1Br
InChIInChI=1S/C10H15BrN4O2/c1-7-9(11)10(17)15(6-13-7)5-3-2-4-8(16)14-12/h6H,2-5,12H2,1H3,(H,14,16)
InChIKeyOEBSZEBBSZRVJX-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.47
Rot. Bonds5

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

5-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide (PubChem CID 66307949) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide
PubChem CID66307949
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name5-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide
SMILESCc1ncn(CCCCC(=O)NN)c(=O)c1Br
InChIInChI=1S/C10H15BrN4O2/c1-7-9(11)10(17)15(6-13-7)5-3-2-4-8(16)14-12/h6H,2-5,12H2,1H3,(H,14,16)
InChIKeyOEBSZEBBSZRVJX-UHFFFAOYSA-N
XLogP0.47
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 5-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide?
The IUPAC name of 5-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide (CID 66307949) is 5-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide?
The canonical SMILES for 5-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide is Cc1ncn(CCCCC(=O)NN)c(=O)c1Br.
What is the InChIKey of 5-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide?
The InChIKey is OEBSZEBBSZRVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-7-9(11)10(17)15(6-13-7)5-3-2-4-8(16)14-12/h6H,2-5,12H2,1H3,(H,14,16).
What are the key properties of 5-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide?
5-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide has a molecular weight of 303.16 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide is sourced from PubChem (CID 66307949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).