5-(2,4-dimethyl-6-oxopyrimidin-1-yl)pentanehydrazide

C11H18N4O2 — CID 55237239

IUPAC5-(2,4-dimethyl-6-oxopyrimidin-1-yl)pentanehydrazide
SMILESCc1cc(=O)n(CCCCC(=O)NN)c(C)n1
InChIInChI=1S/C11H18N4O2/c1-8-7-11(17)15(9(2)13-8)6-4-3-5-10(16)14-12/h7H,3-6,12H2,1-2H3,(H,14,16)
InChIKeyVZSPKLRNAHXWQS-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.02
Rot. Bonds5

About 5-(2,4-dimethyl-6-oxopyrimidin-1-yl)pentanehydrazide

5-(2,4-dimethyl-6-oxopyrimidin-1-yl)pentanehydrazide (PubChem CID 55237239) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(2,4-dimethyl-6-oxopyrimidin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(2,4-dimethyl-6-oxopyrimidin-1-yl)pentanehydrazide
PubChem CID55237239
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-(2,4-dimethyl-6-oxopyrimidin-1-yl)pentanehydrazide
SMILESCc1cc(=O)n(CCCCC(=O)NN)c(C)n1
InChIInChI=1S/C11H18N4O2/c1-8-7-11(17)15(9(2)13-8)6-4-3-5-10(16)14-12/h7H,3-6,12H2,1-2H3,(H,14,16)
InChIKeyVZSPKLRNAHXWQS-UHFFFAOYSA-N
XLogP0.02
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethyl-6-oxopyrimidin-1-yl)pentanehydrazide?
The IUPAC name of 5-(2,4-dimethyl-6-oxopyrimidin-1-yl)pentanehydrazide (CID 55237239) is 5-(2,4-dimethyl-6-oxopyrimidin-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(2,4-dimethyl-6-oxopyrimidin-1-yl)pentanehydrazide?
The canonical SMILES for 5-(2,4-dimethyl-6-oxopyrimidin-1-yl)pentanehydrazide is Cc1cc(=O)n(CCCCC(=O)NN)c(C)n1.
What is the InChIKey of 5-(2,4-dimethyl-6-oxopyrimidin-1-yl)pentanehydrazide?
The InChIKey is VZSPKLRNAHXWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-7-11(17)15(9(2)13-8)6-4-3-5-10(16)14-12/h7H,3-6,12H2,1-2H3,(H,14,16).
What are the key properties of 5-(2,4-dimethyl-6-oxopyrimidin-1-yl)pentanehydrazide?
5-(2,4-dimethyl-6-oxopyrimidin-1-yl)pentanehydrazide has a molecular weight of 238.29 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethyl-6-oxopyrimidin-1-yl)pentanehydrazide is sourced from PubChem (CID 55237239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).