1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

C16H20F3N5O2 — CID 163356309

IUPAC1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESCCc1cnc(N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)nc1
InChIInChI=1S/C16H20F3N5O2/c1-2-11-7-20-14(21-8-11)22-5-3-12(4-6-22)23-9-13(25)24(15(23)26)10-16(17,18)19/h7-8,12H,2-6,9-10H2,1H3
InChIKeySZGLYMYHUFDJFD-UHFFFAOYSA-N
MW371.36 g/mol
LogP1.83
Rot. Bonds4

About 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 163356309) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID163356309
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESCCc1cnc(N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)nc1
InChIInChI=1S/C16H20F3N5O2/c1-2-11-7-20-14(21-8-11)22-5-3-12(4-6-22)23-9-13(25)24(15(23)26)10-16(17,18)19/h7-8,12H,2-6,9-10H2,1H3
InChIKeySZGLYMYHUFDJFD-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 155974224
(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(methylamino)piperidin-2-one
CID 67470730
1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 163356354
1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126854984
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
CID 116976316
5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane
CID 145380179
1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone
CID 58567804
1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126852958
2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine
CID 131998942
(1R)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanol
CID 66696107
1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126850995
1-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 171136822

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 163356309) is 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is CCc1cnc(N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)nc1.
What is the InChIKey of 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is SZGLYMYHUFDJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c1-2-11-7-20-14(21-8-11)22-5-3-12(4-6-22)23-9-13(25)24(15(23)26)10-16(17,18)19/h7-8,12H,2-6,9-10H2,1H3.
What are the key properties of 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 371.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 163356309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).