5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione

C20H20N4O4 — CID 57411069

IUPAC5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione
SMILESCc1ccc(Oc2ncc(N3C(=O)NC(C)(C)C3=O)cn2)c2c1OCC21CC1
InChIInChI=1S/C20H20N4O4/c1-11-4-5-13(14-15(11)27-10-20(14)6-7-20)28-17-21-8-12(9-22-17)24-16(25)19(2,3)23-18(24)26/h4-5,8-9H,6-7,10H2,1-3H3,(H,23,26)
InChIKeyJYHHQTRVJFMEGR-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.84
Rot. Bonds3

About 5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione (PubChem CID 57411069) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione
PubChem CID57411069
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione
SMILESCc1ccc(Oc2ncc(N3C(=O)NC(C)(C)C3=O)cn2)c2c1OCC21CC1
InChIInChI=1S/C20H20N4O4/c1-11-4-5-13(14-15(11)27-10-20(14)6-7-20)28-17-21-8-12(9-22-17)24-16(25)19(2,3)23-18(24)26/h4-5,8-9H,6-7,10H2,1-3H3,(H,23,26)
InChIKeyJYHHQTRVJFMEGR-UHFFFAOYSA-N
XLogP2.84
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione (CID 57411069) is 5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione is Cc1ccc(Oc2ncc(N3C(=O)NC(C)(C)C3=O)cn2)c2c1OCC21CC1.
What is the InChIKey of 5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione?
The InChIKey is JYHHQTRVJFMEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-11-4-5-13(14-15(11)27-10-20(14)6-7-20)28-17-21-8-12(9-22-17)24-16(25)19(2,3)23-18(24)26/h4-5,8-9H,6-7,10H2,1-3H3,(H,23,26).
What are the key properties of 5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione has a molecular weight of 380.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 57411069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).