5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide

C11H18N4O3 — CID 79375126

IUPAC5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide
SMILESCOc1nc(C)cc(=O)n1CCCCC(=O)NN
InChIInChI=1S/C11H18N4O3/c1-8-7-10(17)15(11(13-8)18-2)6-4-3-5-9(16)14-12/h7H,3-6,12H2,1-2H3,(H,14,16)
InChIKeyJBNMIKCZMCHNJN-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.28
Rot. Bonds6

About 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide

5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide (PubChem CID 79375126) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide
PubChem CID79375126
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide
SMILESCOc1nc(C)cc(=O)n1CCCCC(=O)NN
InChIInChI=1S/C11H18N4O3/c1-8-7-10(17)15(11(13-8)18-2)6-4-3-5-9(16)14-12/h7H,3-6,12H2,1-2H3,(H,14,16)
InChIKeyJBNMIKCZMCHNJN-UHFFFAOYSA-N
XLogP-0.28
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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
5-(4-Methyl-6-oxopyrimidin-1-yl)pentanehydrazide
CID 63577955
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
5-(5-Iodo-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide
CID 66342239
3-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 79374270
6-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide
CID 79374565
4-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
CID 79374767
3-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide
CID 79630805

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide?
The IUPAC name of 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide (CID 79375126) is 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide?
The canonical SMILES for 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide is COc1nc(C)cc(=O)n1CCCCC(=O)NN.
What is the InChIKey of 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide?
The InChIKey is JBNMIKCZMCHNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8-7-10(17)15(11(13-8)18-2)6-4-3-5-9(16)14-12/h7H,3-6,12H2,1-2H3,(H,14,16).
What are the key properties of 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide?
5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide has a molecular weight of 254.29 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide is sourced from PubChem (CID 79375126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).