(4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(5-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one

C19H23FN4O — CID 95729930

IUPAC(4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(5-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCC(C)c1cncnc1N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H23FN4O/c1-13(2)17-10-21-12-22-19(17)23-16-9-18(25)24(11-16)8-7-14-3-5-15(20)6-4-14/h3-6,10,12-13,16H,7-9,11H2,1-2H3,(H,21,22,23)/t16-/m0/s1
InChIKeyMUOOAKINFNMLQO-INIZCTEOSA-N
MW342.42 g/mol
LogP2.99
Rot. Bonds6

About (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(5-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one

(4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(5-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 95729930) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(5-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(5-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID95729930
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name(4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(5-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCC(C)c1cncnc1N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H23FN4O/c1-13(2)17-10-21-12-22-19(17)23-16-9-18(25)24(11-16)8-7-14-3-5-15(20)6-4-14/h3-6,10,12-13,16H,7-9,11H2,1-2H3,(H,21,22,23)/t16-/m0/s1
InChIKeyMUOOAKINFNMLQO-INIZCTEOSA-N
XLogP2.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(5-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one with MolForge

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Related Compounds

2-[[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 95726447
4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 45231193
(4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 25292865
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 45181468
2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598
(4S)-4-(1,4-dithiepan-6-ylamino)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 25281281
3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide
CID 56906789
2-acetamido-N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 26334712
(3S)-1-[2-(4-fluorophenyl)ethyl]-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9374389
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 56886684
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 56910590
(3S)-1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 9374348

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(5-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(5-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 95729930) is (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(5-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(5-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(5-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one is CC(C)c1cncnc1N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(5-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is MUOOAKINFNMLQO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-13(2)17-10-21-12-22-19(17)23-16-9-18(25)24(11-16)8-7-14-3-5-15(20)6-4-14/h3-6,10,12-13,16H,7-9,11H2,1-2H3,(H,21,22,23)/t16-/m0/s1.
What are the key properties of (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(5-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one?
(4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(5-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 342.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(5-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 95729930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).