3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1,5-dimethylimidazolidine-2,4-dione

C13H14F3N3O2 — CID 18717293

IUPAC3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1,5-dimethylimidazolidine-2,4-dione
SMILESCc1cc(C(F)(F)F)c(C)nc1N1C(=O)C(C)N(C)C1=O
InChIInChI=1S/C13H14F3N3O2/c1-6-5-9(13(14,15)16)7(2)17-10(6)19-11(20)8(3)18(4)12(19)21/h5,8H,1-4H3
InChIKeyHMDLMOCZUIJHRX-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.50
Rot. Bonds1

About 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1,5-dimethylimidazolidine-2,4-dione

3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1,5-dimethylimidazolidine-2,4-dione (PubChem CID 18717293) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1,5-dimethylimidazolidine-2,4-dione
PubChem CID18717293
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1,5-dimethylimidazolidine-2,4-dione
SMILESCc1cc(C(F)(F)F)c(C)nc1N1C(=O)C(C)N(C)C1=O
InChIInChI=1S/C13H14F3N3O2/c1-6-5-9(13(14,15)16)7(2)17-10(6)19-11(20)8(3)18(4)12(19)21/h5,8H,1-4H3
InChIKeyHMDLMOCZUIJHRX-UHFFFAOYSA-N
XLogP2.50
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1,5-dimethylimidazolidine-2,4-dione (CID 18717293) is 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1,5-dimethylimidazolidine-2,4-dione is Cc1cc(C(F)(F)F)c(C)nc1N1C(=O)C(C)N(C)C1=O.
What is the InChIKey of 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1,5-dimethylimidazolidine-2,4-dione?
The InChIKey is HMDLMOCZUIJHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-6-5-9(13(14,15)16)7(2)17-10(6)19-11(20)8(3)18(4)12(19)21/h5,8H,1-4H3.
What are the key properties of 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1,5-dimethylimidazolidine-2,4-dione?
3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1,5-dimethylimidazolidine-2,4-dione has a molecular weight of 301.27 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 18717293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).