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

C8H12N2O2 — CID 106814924

IUPAC2-(2-ethoxyethyl)-1H-pyrimidin-6-one
SMILESCCOCCc1nccc(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-2-12-6-4-7-9-5-3-8(11)10-7/h3,5H,2,4,6H2,1H3,(H,9,10,11)
InChIKeyRZSVKJGDKFZDAA-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.35
Rot. Bonds4

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

2-(2-ethoxyethyl)-1H-pyrimidin-6-one (PubChem CID 106814924) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-1H-pyrimidin-6-one
PubChem CID106814924
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(2-ethoxyethyl)-1H-pyrimidin-6-one
SMILESCCOCCc1nccc(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-2-12-6-4-7-9-5-3-8(11)10-7/h3,5H,2,4,6H2,1H3,(H,9,10,11)
InChIKeyRZSVKJGDKFZDAA-UHFFFAOYSA-N
XLogP0.35
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.35
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-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146593
CID 172758023
CID 172758023
2-butyl-1H-pyrimidin-6-one
CID 10511035
2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one
CID 136745753
2-[2-(3-aminophenoxy)ethyl]-1H-pyrimidin-6-one
CID 82474779
2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one
CID 65130539
4-tert-butyl-2-(2-ethoxyethyl)-1H-pyrimidin-6-one
CID 136745752
2-(propylsulfanylmethyl)-1H-pyrimidin-6-one
CID 65130294
ethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide
CID 143594658
2-amino-4-(6-oxo-1H-pyrimidin-2-yl)butanoic acid
CID 54353358
2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 61263830
5-bromo-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106814942

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-ethoxyethyl)-1H-pyrimidin-6-one (CID 106814924) is 2-(2-ethoxyethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-ethoxyethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-ethoxyethyl)-1H-pyrimidin-6-one is CCOCCc1nccc(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxyethyl)-1H-pyrimidin-6-one?
The InChIKey is RZSVKJGDKFZDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-12-6-4-7-9-5-3-8(11)10-7/h3,5H,2,4,6H2,1H3,(H,9,10,11).
What are the key properties of 2-(2-ethoxyethyl)-1H-pyrimidin-6-one?
2-(2-ethoxyethyl)-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 106814924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).