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

C10H16N4O3 — CID 79374767

IUPAC4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
SMILESCOc1nc(C)cc(=O)n1CCCC(=O)NN
InChIInChI=1S/C10H16N4O3/c1-7-6-9(16)14(10(12-7)17-2)5-3-4-8(15)13-11/h6H,3-5,11H2,1-2H3,(H,13,15)
InChIKeyXUMAXMGAFMEVJI-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.67
Rot. Bonds5

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

4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide (PubChem CID 79374767) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
PubChem CID79374767
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
SMILESCOc1nc(C)cc(=O)n1CCCC(=O)NN
InChIInChI=1S/C10H16N4O3/c1-7-6-9(16)14(10(12-7)17-2)5-3-4-8(15)13-11/h6H,3-5,11H2,1-2H3,(H,13,15)
InChIKeyXUMAXMGAFMEVJI-UHFFFAOYSA-N
XLogP-0.67
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.67
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

5-(2,4-Dimethyl-6-oxopyrimidin-1-yl)pentanehydrazide
CID 55237239
4-(4-Methyl-6-oxopyrimidin-1-yl)butanehydrazide
CID 63571506
3-(4-Methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 63573943
5-(4-Methyl-6-oxopyrimidin-1-yl)pentanehydrazide
CID 63577955
3-(2,4-Dimethyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 63794210
4-(2,4-Dimethyl-6-oxopyrimidin-1-yl)butanehydrazide
CID 63794390
6-(2,4-Dimethyl-6-oxopyrimidin-1-yl)hexanehydrazide
CID 64294645
6-(4-Methyl-6-oxopyrimidin-1-yl)hexanehydrazide
CID 64296002
4-(5-Iodo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
CID 66341581
3-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 79374270
2-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 79374418
6-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide
CID 79374565

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide?
The IUPAC name of 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide (CID 79374767) is 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide.
What is the SMILES notation for 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide?
The canonical SMILES for 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide is COc1nc(C)cc(=O)n1CCCC(=O)NN.
What is the InChIKey of 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide?
The InChIKey is XUMAXMGAFMEVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7-6-9(16)14(10(12-7)17-2)5-3-4-8(15)13-11/h6H,3-5,11H2,1-2H3,(H,13,15).
What are the key properties of 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide?
4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide has a molecular weight of 240.26 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide is sourced from PubChem (CID 79374767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).