(5S)-5-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione

C21H24FN5O2 — CID 95215117

IUPAC(5S)-5-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ncc(C)c(N2CCC([C@]3(Cc4ccc(F)cc4)NC(=O)NC3=O)CC2)n1
InChIInChI=1S/C21H24FN5O2/c1-13-12-23-14(2)24-18(13)27-9-7-16(8-10-27)21(19(28)25-20(29)26-21)11-15-3-5-17(22)6-4-15/h3-6,12,16H,7-11H2,1-2H3,(H2,25,26,28,29)/t21-/m0/s1
InChIKeyKTWXXNBBAVLYFN-NRFANRHFSA-N
MW397.45 g/mol
LogP2.27
Rot. Bonds4

About (5S)-5-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione

(5S)-5-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 95215117) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is (5S)-5-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID95215117
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC Name(5S)-5-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ncc(C)c(N2CCC([C@]3(Cc4ccc(F)cc4)NC(=O)NC3=O)CC2)n1
InChIInChI=1S/C21H24FN5O2/c1-13-12-23-14(2)24-18(13)27-9-7-16(8-10-27)21(19(28)25-20(29)26-21)11-15-3-5-17(22)6-4-15/h3-6,12,16H,7-11H2,1-2H3,(H2,25,26,28,29)/t21-/m0/s1
InChIKeyKTWXXNBBAVLYFN-NRFANRHFSA-N
XLogP2.27
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 56714796
5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 154799872
5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45181974
5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 45202560
2-[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 56723617
(5R)-5-ethyl-5-[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 95206096
1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane
CID 91001277
(5R)-5-[(3-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95221329
5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45204894
5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45251029
(5R)-5-methyl-5-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 95188149
(5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 95211410

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 95215117) is (5S)-5-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione is Cc1ncc(C)c(N2CCC([C@]3(Cc4ccc(F)cc4)NC(=O)NC3=O)CC2)n1.
What is the InChIKey of (5S)-5-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is KTWXXNBBAVLYFN-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-13-12-23-14(2)24-18(13)27-9-7-16(8-10-27)21(19(28)25-20(29)26-21)11-15-3-5-17(22)6-4-15/h3-6,12,16H,7-11H2,1-2H3,(H2,25,26,28,29)/t21-/m0/s1.
What are the key properties of (5S)-5-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
(5S)-5-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 397.45 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95215117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).