3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanehydrazide

C9H14N4O2 — CID 63794210

IUPAC3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanehydrazide
SMILESCc1cc(=O)n(CCC(=O)NN)c(C)n1
InChIInChI=1S/C9H14N4O2/c1-6-5-9(15)13(7(2)11-6)4-3-8(14)12-10/h5H,3-4,10H2,1-2H3,(H,12,14)
InChIKeyJCNHYPPQJPUWGC-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.76
Rot. Bonds3

About 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanehydrazide

3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanehydrazide (PubChem CID 63794210) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanehydrazide
PubChem CID63794210
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanehydrazide
SMILESCc1cc(=O)n(CCC(=O)NN)c(C)n1
InChIInChI=1S/C9H14N4O2/c1-6-5-9(15)13(7(2)11-6)4-3-8(14)12-10/h5H,3-4,10H2,1-2H3,(H,12,14)
InChIKeyJCNHYPPQJPUWGC-UHFFFAOYSA-N
XLogP-0.76
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.76
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 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanehydrazide?
The IUPAC name of 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanehydrazide (CID 63794210) is 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanehydrazide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanehydrazide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanehydrazide is Cc1cc(=O)n(CCC(=O)NN)c(C)n1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanehydrazide?
The InChIKey is JCNHYPPQJPUWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-5-9(15)13(7(2)11-6)4-3-8(14)12-10/h5H,3-4,10H2,1-2H3,(H,12,14).
What are the key properties of 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanehydrazide?
3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanehydrazide has a molecular weight of 210.24 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanehydrazide is sourced from PubChem (CID 63794210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).