3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione

C16H12F2N4O5 — CID 146289818

IUPAC3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccnc(Oc3ccc4c(c3)OC(F)(F)O4)n2)C1=O
InChIInChI=1S/C16H12F2N4O5/c1-15(2)12(23)22(14(24)21-15)11-5-6-19-13(20-11)25-8-3-4-9-10(7-8)27-16(17,18)26-9/h3-7H,1-2H3,(H,21,24)
InChIKeyOMKMEYBQUMBYLI-UHFFFAOYSA-N
MW378.29 g/mol
LogP2.43
Rot. Bonds3

About 3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 146289818) has the molecular formula C16H12F2N4O5 and a molecular weight of 378.29 g/mol. Its IUPAC name is 3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID146289818
Molecular FormulaC16H12F2N4O5
Molecular Weight378.29 g/mol
Exact Mass378.08
IUPAC Name3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccnc(Oc3ccc4c(c3)OC(F)(F)O4)n2)C1=O
InChIInChI=1S/C16H12F2N4O5/c1-15(2)12(23)22(14(24)21-15)11-5-6-19-13(20-11)25-8-3-4-9-10(7-8)27-16(17,18)26-9/h3-7H,1-2H3,(H,21,24)
InChIKeyOMKMEYBQUMBYLI-UHFFFAOYSA-N
XLogP2.43
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-4-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 146264574
3-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]pyrimidin-4-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 146289838
3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
CID 164732718
3-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione
CID 164732717
5,5-dimethyl-3-[6-(4-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione
CID 146289812
3-[6-(4-methoxy-3-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
CID 146289862
5,5-dimethyl-3-[6-(2-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione
CID 146289860
3-(2-ethoxy-4-pyridinyl)-5,5-dimethylimidazolidine-2,4-dione
CID 66936519
5,5-dimethyl-3-[4-[4-methyl-3-(trifluoromethoxy)phenoxy]phenyl]imidazolidine-2,4-dione
CID 146563952
3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 118945967
(5R)-3-[6-(2,3-dihydro-1-benzofuran-6-yloxy)-2-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 146264458
4-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 10048974

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione (CID 146289818) is 3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(c2ccnc(Oc3ccc4c(c3)OC(F)(F)O4)n2)C1=O.
What is the InChIKey of 3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is OMKMEYBQUMBYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O5/c1-15(2)12(23)22(14(24)21-15)11-5-6-19-13(20-11)25-8-3-4-9-10(7-8)27-16(17,18)26-9/h3-7H,1-2H3,(H,21,24).
What are the key properties of 3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 378.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 146289818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).