6-ethoxy-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

C19H20FN3O2 — CID 134489477

IUPAC6-ethoxy-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1cccc2nc(CN(CC)c3ccc(F)cc3)cc(=O)n12
InChIInChI=1S/C19H20FN3O2/c1-3-22(16-10-8-14(20)9-11-16)13-15-12-18(24)23-17(21-15)6-5-7-19(23)25-4-2/h5-12H,3-4,13H2,1-2H3
InChIKeyMWYSJIYXSXMVPH-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.26
Rot. Bonds6

About 6-ethoxy-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

6-ethoxy-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 134489477) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 6-ethoxy-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethoxy-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID134489477
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name6-ethoxy-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1cccc2nc(CN(CC)c3ccc(F)cc3)cc(=O)n12
InChIInChI=1S/C19H20FN3O2/c1-3-22(16-10-8-14(20)9-11-16)13-15-12-18(24)23-17(21-15)6-5-7-19(23)25-4-2/h5-12H,3-4,13H2,1-2H3
InChIKeyMWYSJIYXSXMVPH-UHFFFAOYSA-N
XLogP3.26
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-ethoxy-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

3-(3-fluoro-4-morpholinophenyl)-2,6-dimethylpyrimidin-4(3H)-one
CID 72948204
US10280165, Example 27
CID 122630849
US10280165, Example 5
CID 134489478
US10280165, Example 14
CID 134489481
US10280165, Example 4
CID 134489483
US10280165, Example 15
CID 134489484
US10280165, Example 8
CID 134489487
2-methyl-5-[(N-methylanilino)methyl]-[1,2]oxazolo[2,3-a]pyrimidin-7-one
CID 20939155
3-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethyl)-6-propylpyrimidin-4(3H)-one
CID 45535033
2-[(N-ethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 45798569
2-[[N-(2-hydroxybutyl)anilino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 51105627
3-(cyclopropylmethyl)-6-[(N-ethyl-4-fluoroanilino)methyl]-2-methylpyrimidin-4-one
CID 171343409

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-ethoxy-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 134489477) is 6-ethoxy-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-ethoxy-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-ethoxy-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one is CCOc1cccc2nc(CN(CC)c3ccc(F)cc3)cc(=O)n12.
What is the InChIKey of 6-ethoxy-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MWYSJIYXSXMVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-3-22(16-10-8-14(20)9-11-16)13-15-12-18(24)23-17(21-15)6-5-7-19(23)25-4-2/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 6-ethoxy-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
6-ethoxy-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 341.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-[(N-ethyl-4-fluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 134489477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).