2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one

C9H14N2O2 — CID 136713682

IUPAC2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCOCCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-3-13-5-4-8-10-7(2)6-9(12)11-8/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyAAWPLTPZWXUJTK-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.66
Rot. Bonds4

About 2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one

2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136713682) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136713682
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCOCCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-3-13-5-4-8-10-7(2)6-9(12)11-8/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyAAWPLTPZWXUJTK-UHFFFAOYSA-N
XLogP0.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Isopropyl-6-methyl-4-pyrimidinol
CID 135444498
2,6-Dimethyl-1H-pyrimidin-4-one
CID 135408640
2-ethyl-6-(methoxymethyl)pyrimidin-4(3H)-one
CID 135631206
2-Isopropyl-6-(methoxymethyl)pyrimidin-4(3H)-one
CID 135506238
6-methyl-2-propylpyrimidin-4(3H)-one
CID 135516607
2-Butyl-6-methyl-4-pyrimidinol
CID 135424377
2-Ethyl-6-methylpyrimidin-4(1h)-one
CID 135417368
ethyl 3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanoate
CID 137281230
4(3H)-Pyrimidinone, 2-(2-hydroxy-1-methylethyl)-6-methyl-
CID 135618154
5-fluoro-2-(2-methoxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136228905
2-(2-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136745765
5-fluoro-2-[2-(2-methoxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one
CID 136780889

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one (CID 136713682) is 2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one is CCOCCc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is AAWPLTPZWXUJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-13-5-4-8-10-7(2)6-9(12)11-8/h6H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one?
2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 182.22 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136713682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).