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

C18H17F3N4O4 — CID 53241212

IUPAC(5R)-5-ethyl-5-methyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(c2cnc(Oc3ccc(C)c(OC(F)(F)F)c3)nc2)C1=O
InChIInChI=1S/C18H17F3N4O4/c1-4-17(3)14(26)25(16(27)24-17)11-8-22-15(23-9-11)28-12-6-5-10(2)13(7-12)29-18(19,20)21/h5-9H,4H2,1-3H3,(H,24,27)/t17-/m1/s1
InChIKeyDZJBKKVCXVSFHQ-QGZVFWFLSA-N
MW410.35 g/mol
LogP3.70
Rot. Bonds5

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

(5R)-5-ethyl-5-methyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione (PubChem CID 53241212) has the molecular formula C18H17F3N4O4 and a molecular weight of 410.35 g/mol. Its IUPAC name is (5R)-5-ethyl-5-methyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-5-methyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione
PubChem CID53241212
Molecular FormulaC18H17F3N4O4
Molecular Weight410.35 g/mol
Exact Mass410.12
IUPAC Name(5R)-5-ethyl-5-methyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(c2cnc(Oc3ccc(C)c(OC(F)(F)F)c3)nc2)C1=O
InChIInChI=1S/C18H17F3N4O4/c1-4-17(3)14(26)25(16(27)24-17)11-8-22-15(23-9-11)28-12-6-5-10(2)13(7-12)29-18(19,20)21/h5-9H,4H2,1-3H3,(H,24,27)/t17-/m1/s1
InChIKeyDZJBKKVCXVSFHQ-QGZVFWFLSA-N
XLogP3.70
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 53.70
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-5-methyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-5-methyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione (CID 53241212) is (5R)-5-ethyl-5-methyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-5-methyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-5-methyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione is CC[C@@]1(C)NC(=O)N(c2cnc(Oc3ccc(C)c(OC(F)(F)F)c3)nc2)C1=O.
What is the InChIKey of (5R)-5-ethyl-5-methyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
The InChIKey is DZJBKKVCXVSFHQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17F3N4O4/c1-4-17(3)14(26)25(16(27)24-17)11-8-22-15(23-9-11)28-12-6-5-10(2)13(7-12)29-18(19,20)21/h5-9H,4H2,1-3H3,(H,24,27)/t17-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-methyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
(5R)-5-ethyl-5-methyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione has a molecular weight of 410.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-methyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 53241212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).