5-(ethylperoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one

C9H14N2O3 — CID 135733779

IUPAC5-(ethylperoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCCOOCc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C9H14N2O3/c1-4-13-14-5-8-6(2)10-7(3)11-9(8)12/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyPSECSJIEEIZHBU-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.85
Rot. Bonds4

About 5-(ethylperoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one

5-(ethylperoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 135733779) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-(ethylperoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(ethylperoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID135733779
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name5-(ethylperoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCCOOCc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C9H14N2O3/c1-4-13-14-5-8-6(2)10-7(3)11-9(8)12/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyPSECSJIEEIZHBU-UHFFFAOYSA-N
XLogP0.85
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-5-(ethylperoxymethyl)-2,6-dimethylpyrimidin-4-one
CID 22949217
5,7-Dihydro-2-methylfuro[3,4-d]pyrimidin-4-ol
CID 135819035
Ethyl 1,6-dihydro-2,4-dimethyl-6-oxo-5-pyrimidinecarboxylate
CID 154942155
5-(methoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one
CID 157819622
ethane;2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 172576466
2-(2-methoxyethyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136043703
6-(Methoxymethyl)-2,5-dimethyl-4(3H)-pyrimidinone
CID 136183681
2-(2-ethoxyethyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136745755
2-(1-methoxypropan-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136930625
methyl 2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 137204361
5-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carbaldehyde
CID 143973165

Frequently Asked Questions

What is the IUPAC name of 5-(ethylperoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(ethylperoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one (CID 135733779) is 5-(ethylperoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(ethylperoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(ethylperoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one is CCOOCc1c(C)nc(C)[nH]c1=O.
What is the InChIKey of 5-(ethylperoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is PSECSJIEEIZHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-13-14-5-8-6(2)10-7(3)11-9(8)12/h4-5H2,1-3H3,(H,10,11,12).
What are the key properties of 5-(ethylperoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one?
5-(ethylperoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylperoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135733779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).