2-methyl-5-(methylperoxymethyl)-1H-pyrimidin-6-one

C7H10N2O3 — CID 20583147

IUPAC2-methyl-5-(methylperoxymethyl)-1H-pyrimidin-6-one
SMILESCOOCc1cnc(C)[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-5-8-3-6(4-12-11-2)7(10)9-5/h3H,4H2,1-2H3,(H,8,9,10)
InChIKeyGDZQZGMCSMYOKN-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.16
Rot. Bonds3

About 2-methyl-5-(methylperoxymethyl)-1H-pyrimidin-6-one

2-methyl-5-(methylperoxymethyl)-1H-pyrimidin-6-one (PubChem CID 20583147) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-methyl-5-(methylperoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-(methylperoxymethyl)-1H-pyrimidin-6-one
PubChem CID20583147
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-methyl-5-(methylperoxymethyl)-1H-pyrimidin-6-one
SMILESCOOCc1cnc(C)[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-5-8-3-6(4-12-11-2)7(10)9-5/h3H,4H2,1-2H3,(H,8,9,10)
InChIKeyGDZQZGMCSMYOKN-UHFFFAOYSA-N
XLogP0.16
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(Hydroxymethyl)-2-methylpyrimidin-4-ol
CID 14779126
2,5-Dimethylpyrimidin-4-ol
CID 242454
5-(Ethoxymethyl)-2-methylpyrimidin-4(3h)-one
CID 224568
2-Ethyl-5-methylpyrimidin-4(1H)-one
CID 18360616
3-Tert-butyl-5-(hydroperoxymethyl)-2-methylpyrimidin-4-one
CID 53847850
2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride
CID 70283115
2-(Methoxymethyl)-5-methylpyrimidin-4(3H)-one
CID 71351742
2-Methyl-4-hydroxy-5-methoxymethylpyrimidine
CID 53411071
(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl acetate
CID 101076416
5-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 104189905
2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 126974108
5-(ethoxymethyl)-2-ethyl-1H-pyrimidin-6-one
CID 131861516

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylperoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-(methylperoxymethyl)-1H-pyrimidin-6-one (CID 20583147) is 2-methyl-5-(methylperoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-(methylperoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-(methylperoxymethyl)-1H-pyrimidin-6-one is COOCc1cnc(C)[nH]c1=O.
What is the InChIKey of 2-methyl-5-(methylperoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is GDZQZGMCSMYOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5-8-3-6(4-12-11-2)7(10)9-5/h3H,4H2,1-2H3,(H,8,9,10).
What are the key properties of 2-methyl-5-(methylperoxymethyl)-1H-pyrimidin-6-one?
2-methyl-5-(methylperoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 170.17 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylperoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 20583147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).