2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide

C9H14N4O3 — CID 79374418

IUPAC2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
SMILESCOc1nc(C)cc(=O)n1C(C)C(=O)NN
InChIInChI=1S/C9H14N4O3/c1-5-4-7(14)13(9(11-5)16-3)6(2)8(15)12-10/h4,6H,10H2,1-3H3,(H,12,15)
InChIKeyJURAPMUFWBPAOM-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.89
Rot. Bonds3

About 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide

2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide (PubChem CID 79374418) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
PubChem CID79374418
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
SMILESCOc1nc(C)cc(=O)n1C(C)C(=O)NN
InChIInChI=1S/C9H14N4O3/c1-5-4-7(14)13(9(11-5)16-3)6(2)8(15)12-10/h4,6H,10H2,1-3H3,(H,12,15)
InChIKeyJURAPMUFWBPAOM-UHFFFAOYSA-N
XLogP-0.89
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.89
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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Related Compounds

(6-Methyl-2-methylsulfanyl-4-oxo-3,4-dihydro-3-pyrimidinyl)acetic acid hydrazide
CID 15047493
3-(4-Methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 63573943
2-(4-Methyl-6-oxopyrimidin-1-yl)acetohydrazide
CID 63574135
2-(4-Methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 63574136
2-(2,4-Dimethyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 63794209
2-(2,4-Dimethyl-6-oxopyrimidin-1-yl)acetohydrazide
CID 63794211
2-(6-Oxopyrimidin-1-yl)propanehydrazide
CID 63795267
2-(5-Iodo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 66340897
2-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 79374112
3-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 79374270
2-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide
CID 79374633
4-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
CID 79374767

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
The IUPAC name of 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide (CID 79374418) is 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide.
What is the SMILES notation for 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
The canonical SMILES for 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide is COc1nc(C)cc(=O)n1C(C)C(=O)NN.
What is the InChIKey of 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
The InChIKey is JURAPMUFWBPAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-5-4-7(14)13(9(11-5)16-3)6(2)8(15)12-10/h4,6H,10H2,1-3H3,(H,12,15).
What are the key properties of 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide has a molecular weight of 226.24 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide is sourced from PubChem (CID 79374418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).