5,5-dimethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione

C17H15F3N4O4 — CID 53241109

IUPAC5,5-dimethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione
SMILESCc1ccc(Oc2ncc(N3C(=O)NC(C)(C)C3=O)cn2)cc1OC(F)(F)F
InChIInChI=1S/C17H15F3N4O4/c1-9-4-5-11(6-12(9)28-17(18,19)20)27-14-21-7-10(8-22-14)24-13(25)16(2,3)23-15(24)26/h4-8H,1-3H3,(H,23,26)
InChIKeyRKJVNBMHIUOWSI-UHFFFAOYSA-N
MW396.33 g/mol
LogP3.31
Rot. Bonds4

About 5,5-dimethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione (PubChem CID 53241109) has the molecular formula C17H15F3N4O4 and a molecular weight of 396.33 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione
PubChem CID53241109
Molecular FormulaC17H15F3N4O4
Molecular Weight396.33 g/mol
Exact Mass396.10
IUPAC Name5,5-dimethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione
SMILESCc1ccc(Oc2ncc(N3C(=O)NC(C)(C)C3=O)cn2)cc1OC(F)(F)F
InChIInChI=1S/C17H15F3N4O4/c1-9-4-5-11(6-12(9)28-17(18,19)20)27-14-21-7-10(8-22-14)24-13(25)16(2,3)23-15(24)26/h4-8H,1-3H3,(H,23,26)
InChIKeyRKJVNBMHIUOWSI-UHFFFAOYSA-N
XLogP3.31
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione (CID 53241109) is 5,5-dimethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione is Cc1ccc(Oc2ncc(N3C(=O)NC(C)(C)C3=O)cn2)cc1OC(F)(F)F.
What is the InChIKey of 5,5-dimethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
The InChIKey is RKJVNBMHIUOWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O4/c1-9-4-5-11(6-12(9)28-17(18,19)20)27-14-21-7-10(8-22-14)24-13(25)16(2,3)23-15(24)26/h4-8H,1-3H3,(H,23,26).
What are the key properties of 5,5-dimethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione has a molecular weight of 396.33 g/mol, XLogP of 3.31, 4 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-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 53241109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).