3-[4-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione

C23H28N6O3 — CID 92616416

IUPAC3-[4-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione
SMILESCN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2C(=O)CCCN2C(=O)CNC2=O)n1
InChIInChI=1S/C23H28N6O3/c1-27(2)22-24-14-17(16-8-4-3-5-9-16)21(26-22)18-10-6-12-28(18)19(30)11-7-13-29-20(31)15-25-23(29)32/h3-5,8-9,14,18H,6-7,10-13,15H2,1-2H3,(H,25,32)/t18-/m0/s1
InChIKeySHUKUFOWSBROIP-SFHVURJKSA-N
MW436.52 g/mol
LogP2.21
Rot. Bonds7

About 3-[4-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione

3-[4-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione (PubChem CID 92616416) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-[4-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione
PubChem CID92616416
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name3-[4-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione
SMILESCN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2C(=O)CCCN2C(=O)CNC2=O)n1
InChIInChI=1S/C23H28N6O3/c1-27(2)22-24-14-17(16-8-4-3-5-9-16)21(26-22)18-10-6-12-28(18)19(30)11-7-13-29-20(31)15-25-23(29)32/h3-5,8-9,14,18H,6-7,10-13,15H2,1-2H3,(H,25,32)/t18-/m0/s1
InChIKeySHUKUFOWSBROIP-SFHVURJKSA-N
XLogP2.21
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.21
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

1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-(4-fluorophenyl)butan-1-one
CID 110266247
1-[3-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 110218350
1-[3-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]piperidine-2,6-dione
CID 110122458
3-[4-[(2S)-2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione
CID 125016515
4-[3-[(2R)-2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]morpholine-3,5-dione
CID 124947240
3-[4-[1-[4-(azepan-1-yl)butanoyl]piperidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 110152850
1-[(2R)-2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 125006692
3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
CID 92616264
1-[(2S)-2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one
CID 92616354
1-[2-[(2R)-2-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 92616361
1-[(2S)-2-[2-(dimethylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-1-yl]-2-phenylethanone
CID 92618118
[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110218333

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[4-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione (CID 92616416) is 3-[4-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione is CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2C(=O)CCCN2C(=O)CNC2=O)n1.
What is the InChIKey of 3-[4-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione?
The InChIKey is SHUKUFOWSBROIP-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-27(2)22-24-14-17(16-8-4-3-5-9-16)21(26-22)18-10-6-12-28(18)19(30)11-7-13-29-20(31)15-25-23(29)32/h3-5,8-9,14,18H,6-7,10-13,15H2,1-2H3,(H,25,32)/t18-/m0/s1.
What are the key properties of 3-[4-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione?
3-[4-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione has a molecular weight of 436.52 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione is sourced from PubChem (CID 92616416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).