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

C11H18N4O3 — CID 79630805

IUPAC3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide
SMILESCOc1nc(C)cc(=O)n1CC(C)(C)C(=O)NN
InChIInChI=1S/C11H18N4O3/c1-7-5-8(16)15(10(13-7)18-4)6-11(2,3)9(17)14-12/h5H,6,12H2,1-4H3,(H,14,17)
InChIKeyLRAMOFQZKUVMOT-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.42
Rot. Bonds4

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

3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide (PubChem CID 79630805) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide
PubChem CID79630805
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide
SMILESCOc1nc(C)cc(=O)n1CC(C)(C)C(=O)NN
InChIInChI=1S/C11H18N4O3/c1-7-5-8(16)15(10(13-7)18-4)6-11(2,3)9(17)14-12/h5H,6,12H2,1-4H3,(H,14,17)
InChIKeyLRAMOFQZKUVMOT-UHFFFAOYSA-N
XLogP-0.42
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.42
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

3-(4-Methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 63573943
3-(2,4-Dimethyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 63794210
3-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 79374270
4-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
CID 79374767
5-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide
CID 79375126
3-(5-Iodo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide
CID 79630428
3-(2,4-Dimethyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide
CID 79630802
2,2-Dimethyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 79631827

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide (CID 79630805) is 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide is COc1nc(C)cc(=O)n1CC(C)(C)C(=O)NN.
What is the InChIKey of 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide?
The InChIKey is LRAMOFQZKUVMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7-5-8(16)15(10(13-7)18-4)6-11(2,3)9(17)14-12/h5H,6,12H2,1-4H3,(H,14,17).
What are the key properties of 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide?
3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide has a molecular weight of 254.29 g/mol, XLogP of -0.42, 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)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79630805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).