(5R)-5-ethyl-5-methyl-3-[2-(7-methylspiro[1H-2-benzofuran-3,1'-cyclobutane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione

C22H24N4O4 — CID 67959980

IUPAC(5R)-5-ethyl-5-methyl-3-[2-(7-methylspiro[1H-2-benzofuran-3,1'-cyclobutane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(c2cnc(Oc3ccc(C)c4c3C3(CCC3)OC4)nc2)C1=O
InChIInChI=1S/C22H24N4O4/c1-4-21(3)18(27)26(20(28)25-21)14-10-23-19(24-11-14)30-16-7-6-13(2)15-12-29-22(17(15)16)8-5-9-22/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,25,28)/t21-/m1/s1
InChIKeyMDESKNKMZVMFSF-OAQYLSRUSA-N
MW408.46 g/mol
LogP3.71
Rot. Bonds4

About (5R)-5-ethyl-5-methyl-3-[2-(7-methylspiro[1H-2-benzofuran-3,1'-cyclobutane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione

(5R)-5-ethyl-5-methyl-3-[2-(7-methylspiro[1H-2-benzofuran-3,1'-cyclobutane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione (PubChem CID 67959980) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is (5R)-5-ethyl-5-methyl-3-[2-(7-methylspiro[1H-2-benzofuran-3,1'-cyclobutane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-5-methyl-3-[2-(7-methylspiro[1H-2-benzofuran-3,1'-cyclobutane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione
PubChem CID67959980
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name(5R)-5-ethyl-5-methyl-3-[2-(7-methylspiro[1H-2-benzofuran-3,1'-cyclobutane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(c2cnc(Oc3ccc(C)c4c3C3(CCC3)OC4)nc2)C1=O
InChIInChI=1S/C22H24N4O4/c1-4-21(3)18(27)26(20(28)25-21)14-10-23-19(24-11-14)30-16-7-6-13(2)15-12-29-22(17(15)16)8-5-9-22/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,25,28)/t21-/m1/s1
InChIKeyMDESKNKMZVMFSF-OAQYLSRUSA-N
XLogP3.71
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.71
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-(7-methylspiro[1H-2-benzofuran-3,1'-cyclobutane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-5-methyl-3-[2-(7-methylspiro[1H-2-benzofuran-3,1'-cyclobutane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione (CID 67959980) is (5R)-5-ethyl-5-methyl-3-[2-(7-methylspiro[1H-2-benzofuran-3,1'-cyclobutane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-5-methyl-3-[2-(7-methylspiro[1H-2-benzofuran-3,1'-cyclobutane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-5-methyl-3-[2-(7-methylspiro[1H-2-benzofuran-3,1'-cyclobutane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione is CC[C@@]1(C)NC(=O)N(c2cnc(Oc3ccc(C)c4c3C3(CCC3)OC4)nc2)C1=O.
What is the InChIKey of (5R)-5-ethyl-5-methyl-3-[2-(7-methylspiro[1H-2-benzofuran-3,1'-cyclobutane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione?
The InChIKey is MDESKNKMZVMFSF-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-4-21(3)18(27)26(20(28)25-21)14-10-23-19(24-11-14)30-16-7-6-13(2)15-12-29-22(17(15)16)8-5-9-22/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,25,28)/t21-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-methyl-3-[2-(7-methylspiro[1H-2-benzofuran-3,1'-cyclobutane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione?
(5R)-5-ethyl-5-methyl-3-[2-(7-methylspiro[1H-2-benzofuran-3,1'-cyclobutane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione has a molecular weight of 408.46 g/mol, XLogP of 3.71, 4 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-(7-methylspiro[1H-2-benzofuran-3,1'-cyclobutane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 67959980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).