5,5-dimethyl-3-[2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]imidazolidine-2,4-dione

C16H25N5O3 — CID 95285040

IUPAC5,5-dimethyl-3-[2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]imidazolidine-2,4-dione
SMILESCc1cnn(C[C@@H]2CN(CCN3C(=O)NC(C)(C)C3=O)CCO2)c1
InChIInChI=1S/C16H25N5O3/c1-12-8-17-20(9-12)11-13-10-19(6-7-24-13)4-5-21-14(22)16(2,3)18-15(21)23/h8-9,13H,4-7,10-11H2,1-3H3,(H,18,23)/t13-/m0/s1
InChIKeyGRRPSJPGFUTAKP-ZDUSSCGKSA-N
MW335.41 g/mol
LogP0.22
Rot. Bonds5

About 5,5-dimethyl-3-[2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 95285040) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]imidazolidine-2,4-dione
PubChem CID95285040
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name5,5-dimethyl-3-[2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]imidazolidine-2,4-dione
SMILESCc1cnn(C[C@@H]2CN(CCN3C(=O)NC(C)(C)C3=O)CCO2)c1
InChIInChI=1S/C16H25N5O3/c1-12-8-17-20(9-12)11-13-10-19(6-7-24-13)4-5-21-14(22)16(2,3)18-15(21)23/h8-9,13H,4-7,10-11H2,1-3H3,(H,18,23)/t13-/m0/s1
InChIKeyGRRPSJPGFUTAKP-ZDUSSCGKSA-N
XLogP0.22
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.22
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-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one
CID 95285675
N,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide
CID 95293347
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine
CID 95301599
5,5-dimethyl-3-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]ethyl]imidazolidine-2,4-dione
CID 95137115
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 95283767
4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile
CID 95286132
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95291335
(1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol
CID 100841984
(2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95287030
(2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95285694
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
CID 95285530
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 98153752

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]imidazolidine-2,4-dione (CID 95285040) is 5,5-dimethyl-3-[2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]imidazolidine-2,4-dione is Cc1cnn(C[C@@H]2CN(CCN3C(=O)NC(C)(C)C3=O)CCO2)c1.
What is the InChIKey of 5,5-dimethyl-3-[2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is GRRPSJPGFUTAKP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-12-8-17-20(9-12)11-13-10-19(6-7-24-13)4-5-21-14(22)16(2,3)18-15(21)23/h8-9,13H,4-7,10-11H2,1-3H3,(H,18,23)/t13-/m0/s1.
What are the key properties of 5,5-dimethyl-3-[2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 335.41 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95285040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).