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

C9H14N4O2 — CID 63571506

IUPAC4-(4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
SMILESCc1cc(=O)n(CCCC(=O)NN)cn1
InChIInChI=1S/C9H14N4O2/c1-7-5-9(15)13(6-11-7)4-2-3-8(14)12-10/h5-6H,2-4,10H2,1H3,(H,12,14)
InChIKeyYBBMLTDHIBMUJG-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.68
Rot. Bonds4

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

4-(4-methyl-6-oxopyrimidin-1-yl)butanehydrazide (PubChem CID 63571506) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-(4-methyl-6-oxopyrimidin-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
PubChem CID63571506
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-(4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
SMILESCc1cc(=O)n(CCCC(=O)NN)cn1
InChIInChI=1S/C9H14N4O2/c1-7-5-9(15)13(6-11-7)4-2-3-8(14)12-10/h5-6H,2-4,10H2,1H3,(H,12,14)
InChIKeyYBBMLTDHIBMUJG-UHFFFAOYSA-N
XLogP-0.68
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-6-oxopyrimidin-1-yl)butanehydrazide?
The IUPAC name of 4-(4-methyl-6-oxopyrimidin-1-yl)butanehydrazide (CID 63571506) is 4-(4-methyl-6-oxopyrimidin-1-yl)butanehydrazide.
What is the SMILES notation for 4-(4-methyl-6-oxopyrimidin-1-yl)butanehydrazide?
The canonical SMILES for 4-(4-methyl-6-oxopyrimidin-1-yl)butanehydrazide is Cc1cc(=O)n(CCCC(=O)NN)cn1.
What is the InChIKey of 4-(4-methyl-6-oxopyrimidin-1-yl)butanehydrazide?
The InChIKey is YBBMLTDHIBMUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7-5-9(15)13(6-11-7)4-2-3-8(14)12-10/h5-6H,2-4,10H2,1H3,(H,12,14).
What are the key properties of 4-(4-methyl-6-oxopyrimidin-1-yl)butanehydrazide?
4-(4-methyl-6-oxopyrimidin-1-yl)butanehydrazide has a molecular weight of 210.24 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-6-oxopyrimidin-1-yl)butanehydrazide is sourced from PubChem (CID 63571506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).