2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C20H20FN3O2 — CID 51514177

IUPAC2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCO[C@H](c4ccc(F)cc4)C3)cc(=O)n2c1
InChIInChI=1S/C20H20FN3O2/c1-14-2-7-19-22-17(10-20(25)24(19)11-14)12-23-8-9-26-18(13-23)15-3-5-16(21)6-4-15/h2-7,10-11,18H,8-9,12-13H2,1H3/t18-/m0/s1
InChIKeyNWPAAHBXEDELTI-SFHVURJKSA-N
MW353.40 g/mol
LogP2.72
Rot. Bonds3

About 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 51514177) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID51514177
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCO[C@H](c4ccc(F)cc4)C3)cc(=O)n2c1
InChIInChI=1S/C20H20FN3O2/c1-14-2-7-19-22-17(10-20(25)24(19)11-14)12-23-8-9-26-18(13-23)15-3-5-16(21)6-4-15/h2-7,10-11,18H,8-9,12-13H2,1H3/t18-/m0/s1
InChIKeyNWPAAHBXEDELTI-SFHVURJKSA-N
XLogP2.72
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

5-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 56867866
2-Methyl-9-[[2-(trifluoromethyl)phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one
CID 12219979
N-(4-Fluorobenzyl)-3-(benzyloxy)-9-methyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21070030
3-[4-[(2-Fluorophenyl)methoxy]piperidin-1-yl]-1-methylpyrazin-2-one
CID 23061234
3-[2-[3-[(2-Fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 57927444
3-[2-[3-[(2-Fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 57927543
2-[4-[(4-Fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-(morpholin-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidin-3-olate
CID 58101047
2-[4-[(4-Fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate
CID 58101167
2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58147980
N-[1-amino-2-(4-fluorophenyl)ethylidene]-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
CID 68203807
2-[(4-Fluorophenyl)methyl]-6-methyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 68928914
2-Methyl-9-(2,2,2-trifluoro-1-phenylethoxy)pyrido[1,2-a]pyrimidin-4-one
CID 70638276

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 51514177) is 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN3CCO[C@H](c4ccc(F)cc4)C3)cc(=O)n2c1.
What is the InChIKey of 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NWPAAHBXEDELTI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-14-2-7-19-22-17(10-20(25)24(19)11-14)12-23-8-9-26-18(13-23)15-3-5-16(21)6-4-15/h2-7,10-11,18H,8-9,12-13H2,1H3/t18-/m0/s1.
What are the key properties of 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 353.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51514177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).