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

C17H15F3N4O4 — CID 53241404

IUPAC(5R)-5-ethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione
SMILESCC[C@H]1NC(=O)N(c2cnc(Oc3ccc(C)c(OC(F)(F)F)c3)nc2)C1=O
InChIInChI=1S/C17H15F3N4O4/c1-3-12-14(25)24(16(26)23-12)10-7-21-15(22-8-10)27-11-5-4-9(2)13(6-11)28-17(18,19)20/h4-8,12H,3H2,1-2H3,(H,23,26)/t12-/m1/s1
InChIKeyGGVNTEBSOURWNZ-GFCCVEGCSA-N
MW396.33 g/mol
LogP3.31
Rot. Bonds5

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

(5R)-5-ethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione (PubChem CID 53241404) has the molecular formula C17H15F3N4O4 and a molecular weight of 396.33 g/mol. Its IUPAC name is (5R)-5-ethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione
PubChem CID53241404
Molecular FormulaC17H15F3N4O4
Molecular Weight396.33 g/mol
Exact Mass396.10
IUPAC Name(5R)-5-ethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione
SMILESCC[C@H]1NC(=O)N(c2cnc(Oc3ccc(C)c(OC(F)(F)F)c3)nc2)C1=O
InChIInChI=1S/C17H15F3N4O4/c1-3-12-14(25)24(16(26)23-12)10-7-21-15(22-8-10)27-11-5-4-9(2)13(6-11)28-17(18,19)20/h4-8,12H,3H2,1-2H3,(H,23,26)/t12-/m1/s1
InChIKeyGGVNTEBSOURWNZ-GFCCVEGCSA-N
XLogP3.31
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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 (5R)-5-ethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione (CID 53241404) is (5R)-5-ethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione is CC[C@H]1NC(=O)N(c2cnc(Oc3ccc(C)c(OC(F)(F)F)c3)nc2)C1=O.
What is the InChIKey of (5R)-5-ethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
The InChIKey is GGVNTEBSOURWNZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15F3N4O4/c1-3-12-14(25)24(16(26)23-12)10-7-21-15(22-8-10)27-11-5-4-9(2)13(6-11)28-17(18,19)20/h4-8,12H,3H2,1-2H3,(H,23,26)/t12-/m1/s1.
What are the key properties of (5R)-5-ethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
(5R)-5-ethyl-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, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 53241404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).