(5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione

C22H26N6O3 — CID 8572254

IUPAC(5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O
InChIInChI=1S/C22H26N6O3/c1-2-9-22(17-7-4-3-5-8-17)19(30)28(21(31)25-22)16-18(29)26-12-14-27(15-13-26)20-23-10-6-11-24-20/h3-8,10-11H,2,9,12-16H2,1H3,(H,25,31)/t22-/m1/s1
InChIKeyIBKFYAWDLFFCAL-JOCHJYFZSA-N
MW422.49 g/mol
LogP1.37
Rot. Bonds6

About (5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione

(5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione (PubChem CID 8572254) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is (5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
PubChem CID8572254
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name(5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O
InChIInChI=1S/C22H26N6O3/c1-2-9-22(17-7-4-3-5-8-17)19(30)28(21(31)25-22)16-18(29)26-12-14-27(15-13-26)20-23-10-6-11-24-20/h3-8,10-11H,2,9,12-16H2,1H3,(H,25,31)/t22-/m1/s1
InChIKeyIBKFYAWDLFFCAL-JOCHJYFZSA-N
XLogP1.37
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8572251
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40748676
(5R)-3'-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 26011393
methyl 1-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperidine-4-carboxylate
CID 55326849
(5R)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622583
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622563
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585330
(5S)-3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 51434252
(5S)-5-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 25354436
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 2705375
N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 25340413
N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide
CID 24566030

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione (CID 8572254) is (5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione is CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O.
What is the InChIKey of (5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
The InChIKey is IBKFYAWDLFFCAL-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-2-9-22(17-7-4-3-5-8-17)19(30)28(21(31)25-22)16-18(29)26-12-14-27(15-13-26)20-23-10-6-11-24-20/h3-8,10-11H,2,9,12-16H2,1H3,(H,25,31)/t22-/m1/s1.
What are the key properties of (5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
(5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione has a molecular weight of 422.49 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 8572254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).