5-(hydroperoxymethyl)-4-methoxypyrimidine

C6H8N2O3 — CID 155649595

IUPAC5-(hydroperoxymethyl)-4-methoxypyrimidine
SMILESCOc1ncncc1COO
InChIInChI=1S/C6H8N2O3/c1-10-6-5(3-11-9)2-7-4-8-6/h2,4,9H,3H2,1H3
InChIKeyAEIJUAUWABXDBN-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.47
Rot. Bonds3

About 5-(hydroperoxymethyl)-4-methoxypyrimidine

5-(hydroperoxymethyl)-4-methoxypyrimidine (PubChem CID 155649595) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 5-(hydroperoxymethyl)-4-methoxypyrimidine.

Molecular Properties

Compound Name5-(hydroperoxymethyl)-4-methoxypyrimidine
PubChem CID155649595
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name5-(hydroperoxymethyl)-4-methoxypyrimidine
SMILESCOc1ncncc1COO
InChIInChI=1S/C6H8N2O3/c1-10-6-5(3-11-9)2-7-4-8-6/h2,4,9H,3H2,1H3
InChIKeyAEIJUAUWABXDBN-UHFFFAOYSA-N
XLogP0.47
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(4-methoxypyrimidin-5-yl)propanoic acid
CID 82654769
lithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate
CID 161326129
4-methoxy-N,N-dimethylpyrimidin-5-amine
CID 173064596
5-tert-butyl-4-methoxypyrimidine
CID 58432984
[4-(3-methoxycyclohexyl)oxypyrimidin-5-yl]methanol
CID 114215313
2-amino-1-(4-methoxypyrimidin-5-yl)propan-1-ol
CID 82655096
4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide
CID 166012158
2-[N-[(4-methoxypyrimidin-5-yl)methyl]-3-propan-2-ylanilino]ethanol
CID 167813046
2-methoxy-3-(methoxymethyl)pyridine
CID 67266398
1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one
CID 154746706
5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine
CID 66317781
(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 19702800

Frequently Asked Questions

What is the IUPAC name of 5-(hydroperoxymethyl)-4-methoxypyrimidine?
The IUPAC name of 5-(hydroperoxymethyl)-4-methoxypyrimidine (CID 155649595) is 5-(hydroperoxymethyl)-4-methoxypyrimidine.
What is the SMILES notation for 5-(hydroperoxymethyl)-4-methoxypyrimidine?
The canonical SMILES for 5-(hydroperoxymethyl)-4-methoxypyrimidine is COc1ncncc1COO.
What is the InChIKey of 5-(hydroperoxymethyl)-4-methoxypyrimidine?
The InChIKey is AEIJUAUWABXDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-10-6-5(3-11-9)2-7-4-8-6/h2,4,9H,3H2,1H3.
What are the key properties of 5-(hydroperoxymethyl)-4-methoxypyrimidine?
5-(hydroperoxymethyl)-4-methoxypyrimidine has a molecular weight of 156.14 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroperoxymethyl)-4-methoxypyrimidine is sourced from PubChem (CID 155649595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).