3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide

C8H11BrN4O2 — CID 66309687

IUPAC3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide
SMILESCc1ncc(Br)c(=O)n1CCC(=O)NN
InChIInChI=1S/C8H11BrN4O2/c1-5-11-4-6(9)8(15)13(5)3-2-7(14)12-10/h4H,2-3,10H2,1H3,(H,12,14)
InChIKeyRLLGNEDGRADXQZ-UHFFFAOYSA-N
MW275.11 g/mol
LogP-0.31
Rot. Bonds3

About 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide

3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide (PubChem CID 66309687) has the molecular formula C8H11BrN4O2 and a molecular weight of 275.11 g/mol. Its IUPAC name is 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide
PubChem CID66309687
Molecular FormulaC8H11BrN4O2
Molecular Weight275.11 g/mol
Exact Mass274.01
IUPAC Name3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide
SMILESCc1ncc(Br)c(=O)n1CCC(=O)NN
InChIInChI=1S/C8H11BrN4O2/c1-5-11-4-6(9)8(15)13(5)3-2-7(14)12-10/h4H,2-3,10H2,1H3,(H,12,14)
InChIKeyRLLGNEDGRADXQZ-UHFFFAOYSA-N
XLogP-0.31
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 5-0.31
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 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
The IUPAC name of 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide (CID 66309687) is 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide.
What is the SMILES notation for 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
The canonical SMILES for 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide is Cc1ncc(Br)c(=O)n1CCC(=O)NN.
What is the InChIKey of 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
The InChIKey is RLLGNEDGRADXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O2/c1-5-11-4-6(9)8(15)13(5)3-2-7(14)12-10/h4H,2-3,10H2,1H3,(H,12,14).
What are the key properties of 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide has a molecular weight of 275.11 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide is sourced from PubChem (CID 66309687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).