(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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Related Compounds

Kv3 modulator 1
CID 57411069
(5R)-5-ethyl-5-methyl-3-(6-{[4-methyl-3-(methyloxy)phenyl]oxy}-3-pyridinyl)-2,4-imidazolidinedione
CID 53241942
8-cyclopentyl-2-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-5-methylpteridine-6,7-dione
CID 156018962
US12358901, Example RE2
CID 53240510
US12358901, Example RE1
CID 53241109
US12358901, Example RE3
CID 146563953
2-[[2-(3,6-diaminoazepan-1-yl)-2-oxoethyl]-(2-phenylmethoxypyrimidin-5-yl)amino]-N-[2-[3-(trifluoromethoxy)phenoxy]ethyl]acetamide
CID 24810721
4-[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]pyridin-2-yl]oxy-2-(trifluoromethoxy)benzonitrile
CID 53241210
(5R)-5-ethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridin-3-yl]imidazolidine-2,4-dione
CID 53241401
(5R)-5-ethyl-3-[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]imidazolidine-2,4-dione
CID 53241404
4-[5-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)pyridin-2-yl]oxy-2-(trifluoromethoxy)benzonitrile
CID 53242034
(5R)-3-[2-[(2,2-difluoro-7-methyl-1,3-benzodioxol-4-yl)oxy]pyrimidin-5-yl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 57410950

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).