3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide

C9H14N4O3 — CID 79374270

IUPAC3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
SMILESCOc1nc(C)cc(=O)n1CCC(=O)NN
InChIInChI=1S/C9H14N4O3/c1-6-5-8(15)13(9(11-6)16-2)4-3-7(14)12-10/h5H,3-4,10H2,1-2H3,(H,12,14)
InChIKeyCHTILCDNVAXFCG-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.06
Rot. Bonds4

About 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide

3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide (PubChem CID 79374270) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
PubChem CID79374270
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
SMILESCOc1nc(C)cc(=O)n1CCC(=O)NN
InChIInChI=1S/C9H14N4O3/c1-6-5-8(15)13(9(11-6)16-2)4-3-7(14)12-10/h5H,3-4,10H2,1-2H3,(H,12,14)
InChIKeyCHTILCDNVAXFCG-UHFFFAOYSA-N
XLogP-1.06
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.06
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

4-(4-Methyl-6-oxopyrimidin-1-yl)butanehydrazide
CID 63571506
3-(4-Methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 63573943
2-(4-Methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 63574136
3-(2,4-Dimethyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 63794210
4-(2,4-Dimethyl-6-oxopyrimidin-1-yl)butanehydrazide
CID 63794390
3-(5-Iodo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 66340899
3-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)propanamide
CID 79374179
2-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 79374418
6-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide
CID 79374565
2-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide
CID 79374633
4-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
CID 79374767
5-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide
CID 79375126

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
The IUPAC name of 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide (CID 79374270) is 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide.
What is the SMILES notation for 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
The canonical SMILES for 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide is COc1nc(C)cc(=O)n1CCC(=O)NN.
What is the InChIKey of 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
The InChIKey is CHTILCDNVAXFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-6-5-8(15)13(9(11-6)16-2)4-3-7(14)12-10/h5H,3-4,10H2,1-2H3,(H,12,14).
What are the key properties of 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide has a molecular weight of 226.24 g/mol, XLogP of -1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide is sourced from PubChem (CID 79374270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).