2-(ethylperoxymethyl)pyrimidine

C7H10N2O2 — CID 89164584

IUPAC2-(ethylperoxymethyl)pyrimidine
SMILESCCOOCc1ncccn1
InChIInChI=1S/C7H10N2O2/c1-2-10-11-6-7-8-4-3-5-9-7/h3-5H,2,6H2,1H3
InChIKeySINPUERYSVCWAL-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.94
Rot. Bonds4

About 2-(ethylperoxymethyl)pyrimidine

2-(ethylperoxymethyl)pyrimidine (PubChem CID 89164584) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(ethylperoxymethyl)pyrimidine.

Molecular Properties

Compound Name2-(ethylperoxymethyl)pyrimidine
PubChem CID89164584
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(ethylperoxymethyl)pyrimidine
SMILESCCOOCc1ncccn1
InChIInChI=1S/C7H10N2O2/c1-2-10-11-6-7-8-4-3-5-9-7/h3-5H,2,6H2,1H3
InChIKeySINPUERYSVCWAL-UHFFFAOYSA-N
XLogP0.94
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.94
H-Bond Donors ≤ 50
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

2-(difluoromethoxymethyl)pyrimidine
CID 123724255
2-benzylpyrimidine
CID 13143744
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine
CID 62699199
3-ethoxy-4-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62700677
ethyl pyridine-2-carboxylate
CID 17307
2-ethylpyridine;sulfane
CID 67363352
ethane;2-ethylpyridine
CID 91102000
ethane;pyrimidin-2-ylmethanol
CID 143639944
[5-(ethylperoxymethyl)-2-pyridinyl]methanamine
CID 88912711
acetylene;2-ethylpyridine
CID 145358493
2-nonylpyrimidine
CID 23297050
ethane;2-ethylpyridine;methane
CID 142439308

Frequently Asked Questions

What is the IUPAC name of 2-(ethylperoxymethyl)pyrimidine?
The IUPAC name of 2-(ethylperoxymethyl)pyrimidine (CID 89164584) is 2-(ethylperoxymethyl)pyrimidine.
What is the SMILES notation for 2-(ethylperoxymethyl)pyrimidine?
The canonical SMILES for 2-(ethylperoxymethyl)pyrimidine is CCOOCc1ncccn1.
What is the InChIKey of 2-(ethylperoxymethyl)pyrimidine?
The InChIKey is SINPUERYSVCWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-10-11-6-7-8-4-3-5-9-7/h3-5H,2,6H2,1H3.
What are the key properties of 2-(ethylperoxymethyl)pyrimidine?
2-(ethylperoxymethyl)pyrimidine has a molecular weight of 154.17 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylperoxymethyl)pyrimidine is sourced from PubChem (CID 89164584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).