4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one

C23H23FN4O2 — CID 136881829

IUPAC4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCc1ccccc1)c1nc(C2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[nH]1
InChIInChI=1S/C23H23FN4O2/c1-27(12-11-16-5-3-2-4-6-16)23-25-20(14-21(29)26-23)17-13-22(30)28(15-17)19-9-7-18(24)8-10-19/h2-10,14,17H,11-13,15H2,1H3,(H,25,26,29)
InChIKeySFRLJTPHXQWCFW-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.11
Rot. Bonds6

About 4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one

4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136881829) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one
PubChem CID136881829
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCc1ccccc1)c1nc(C2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[nH]1
InChIInChI=1S/C23H23FN4O2/c1-27(12-11-16-5-3-2-4-6-16)23-25-20(14-21(29)26-23)17-13-22(30)28(15-17)19-9-7-18(24)8-10-19/h2-10,14,17H,11-13,15H2,1H3,(H,25,26,29)
InChIKeySFRLJTPHXQWCFW-UHFFFAOYSA-N
XLogP3.11
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]-4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136851106
4-[(3R)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one
CID 136869344
2-(diethylamino)-4-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136735163
N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide
CID 110250823
1-(4-fluorophenyl)-4-[2-[[(4-fluorophenyl)methyl-methylamino]methyl]-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-one
CID 110088842
1-(4-fluorophenyl)-4-[6-(methylamino)-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-yl]pyrrolidin-2-one
CID 110250831
N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-hydroxy-N-methylacetamide
CID 110250786
N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbutanamide
CID 110088818
N-[[4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-6-(methylamino)pyrimidin-2-yl]methyl]-2-methoxy-N-methylacetamide
CID 92621056
1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 52992577
N-[[4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylcyclohexanecarboxamide
CID 110088824
N-[[4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-6-(methylamino)pyrimidin-2-yl]methyl]-2-methoxy-N,2-dimethylpropanamide
CID 110088837

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one (CID 136881829) is 4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one is CN(CCc1ccccc1)c1nc(C2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is SFRLJTPHXQWCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-27(12-11-16-5-3-2-4-6-16)23-25-20(14-21(29)26-23)17-13-22(30)28(15-17)19-9-7-18(24)8-10-19/h2-10,14,17H,11-13,15H2,1H3,(H,25,26,29).
What are the key properties of 4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one?
4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 406.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136881829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).