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

C8H11BrN4O2S — CID 70676534

IUPAC2-(5-bromo-4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetohydrazide
SMILESCSc1nc(C)c(Br)c(=O)n1CC(=O)NN
InChIInChI=1S/C8H11BrN4O2S/c1-4-6(9)7(15)13(3-5(14)12-10)8(11-4)16-2/h3,10H2,1-2H3,(H,12,14)
InChIKeyOXNPUNFZGPGSHL-UHFFFAOYSA-N
MW307.17 g/mol
LogP0.03
Rot. Bonds3

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

2-(5-bromo-4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetohydrazide (PubChem CID 70676534) has the molecular formula C8H11BrN4O2S and a molecular weight of 307.17 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetohydrazide
PubChem CID70676534
Molecular FormulaC8H11BrN4O2S
Molecular Weight307.17 g/mol
Exact Mass305.98
IUPAC Name2-(5-bromo-4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetohydrazide
SMILESCSc1nc(C)c(Br)c(=O)n1CC(=O)NN
InChIInChI=1S/C8H11BrN4O2S/c1-4-6(9)7(15)13(3-5(14)12-10)8(11-4)16-2/h3,10H2,1-2H3,(H,12,14)
InChIKeyOXNPUNFZGPGSHL-UHFFFAOYSA-N
XLogP0.03
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-(5-bromo-4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetohydrazide?
The IUPAC name of 2-(5-bromo-4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetohydrazide (CID 70676534) is 2-(5-bromo-4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetohydrazide.
What is the SMILES notation for 2-(5-bromo-4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetohydrazide?
The canonical SMILES for 2-(5-bromo-4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetohydrazide is CSc1nc(C)c(Br)c(=O)n1CC(=O)NN.
What is the InChIKey of 2-(5-bromo-4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetohydrazide?
The InChIKey is OXNPUNFZGPGSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O2S/c1-4-6(9)7(15)13(3-5(14)12-10)8(11-4)16-2/h3,10H2,1-2H3,(H,12,14).
What are the key properties of 2-(5-bromo-4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetohydrazide?
2-(5-bromo-4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetohydrazide has a molecular weight of 307.17 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetohydrazide is sourced from PubChem (CID 70676534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).