6-ethyl-2-morpholin-4-yl-3-prop-2-enylpyrimidin-4-one

C13H19N3O2 — CID 53201011

IUPAC6-ethyl-2-morpholin-4-yl-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(N2CCOCC2)nc(CC)cc1=O
InChIInChI=1S/C13H19N3O2/c1-3-5-16-12(17)10-11(4-2)14-13(16)15-6-8-18-9-7-15/h3,10H,1,4-9H2,2H3
InChIKeyWPGJNCPTXNHZSP-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.83
Rot. Bonds4

About 6-ethyl-2-morpholin-4-yl-3-prop-2-enylpyrimidin-4-one

6-ethyl-2-morpholin-4-yl-3-prop-2-enylpyrimidin-4-one (PubChem CID 53201011) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-ethyl-2-morpholin-4-yl-3-prop-2-enylpyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-morpholin-4-yl-3-prop-2-enylpyrimidin-4-one
PubChem CID53201011
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-ethyl-2-morpholin-4-yl-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(N2CCOCC2)nc(CC)cc1=O
InChIInChI=1S/C13H19N3O2/c1-3-5-16-12(17)10-11(4-2)14-13(16)15-6-8-18-9-7-15/h3,10H,1,4-9H2,2H3
InChIKeyWPGJNCPTXNHZSP-UHFFFAOYSA-N
XLogP0.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-butyl-2-(4-morpholinyl)-4(3H)-pyrimidinone
CID 135990496
3-Butyl-6-ethyl-2-morpholin-4-ylpyrimidin-4-one
CID 53201010
6-Ethyl-2-morpholin-4-yl-pyrimidin-4-ol
CID 135627635
3-methyl-2-[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]-6-propan-2-ylpyrimidin-4-one
CID 178845334
3-methyl-2-[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]-6-propan-2-ylpyrimidin-4-one
CID 178845631
3-Methyl-2-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]-6-propan-2-ylpyrimidin-4-one
CID 178845766
3-(2-Ethoxyethyl)-6-methyl-2-(piperidin-1-YL)-3,4-dihydropyrimidin-4-one
CID 53200956
2-(Dimethylamino)-3-(2-methoxyethyl)-6-methylpyrimidin-4-one
CID 20745847
2-(4-morpholinyl)-6-propyl-4(3H)-pyrimidinone
CID 135637369
2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one
CID 140511865
2-(2,6-dimethylmorpholin-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 176665198
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-ethyl-3-methylpyrimidin-4-one
CID 176666065

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-morpholin-4-yl-3-prop-2-enylpyrimidin-4-one?
The IUPAC name of 6-ethyl-2-morpholin-4-yl-3-prop-2-enylpyrimidin-4-one (CID 53201011) is 6-ethyl-2-morpholin-4-yl-3-prop-2-enylpyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-morpholin-4-yl-3-prop-2-enylpyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-morpholin-4-yl-3-prop-2-enylpyrimidin-4-one is C=CCn1c(N2CCOCC2)nc(CC)cc1=O.
What is the InChIKey of 6-ethyl-2-morpholin-4-yl-3-prop-2-enylpyrimidin-4-one?
The InChIKey is WPGJNCPTXNHZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-5-16-12(17)10-11(4-2)14-13(16)15-6-8-18-9-7-15/h3,10H,1,4-9H2,2H3.
What are the key properties of 6-ethyl-2-morpholin-4-yl-3-prop-2-enylpyrimidin-4-one?
6-ethyl-2-morpholin-4-yl-3-prop-2-enylpyrimidin-4-one has a molecular weight of 249.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-morpholin-4-yl-3-prop-2-enylpyrimidin-4-one is sourced from PubChem (CID 53201011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).