2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide

C8H11N5O3 — CID 107602431

IUPAC2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
SMILESCOc1cc(C)nc(NC(=O)C(=O)NN)n1
InChIInChI=1S/C8H11N5O3/c1-4-3-5(16-2)11-8(10-4)12-6(14)7(15)13-9/h3H,9H2,1-2H3,(H,13,15)(H,10,11,12,14)
InChIKeyPSJFZEUBNOEKMS-UHFFFAOYSA-N
MW225.21 g/mol
LogP-1.28
Rot. Bonds2

About 2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide

2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide (PubChem CID 107602431) has the molecular formula C8H11N5O3 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
PubChem CID107602431
Molecular FormulaC8H11N5O3
Molecular Weight225.21 g/mol
Exact Mass225.09
IUPAC Name2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
SMILESCOc1cc(C)nc(NC(=O)C(=O)NN)n1
InChIInChI=1S/C8H11N5O3/c1-4-3-5(16-2)11-8(10-4)12-6(14)7(15)13-9/h3H,9H2,1-2H3,(H,13,15)(H,10,11,12,14)
InChIKeyPSJFZEUBNOEKMS-UHFFFAOYSA-N
XLogP-1.28
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide?
The IUPAC name of 2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide (CID 107602431) is 2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide.
What is the SMILES notation for 2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide?
The canonical SMILES for 2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide is COc1cc(C)nc(NC(=O)C(=O)NN)n1.
What is the InChIKey of 2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide?
The InChIKey is PSJFZEUBNOEKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3/c1-4-3-5(16-2)11-8(10-4)12-6(14)7(15)13-9/h3H,9H2,1-2H3,(H,13,15)(H,10,11,12,14).
What are the key properties of 2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide?
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide has a molecular weight of 225.21 g/mol, XLogP of -1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide is sourced from PubChem (CID 107602431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).