3-[6-(4-methoxy-3-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione

C17H18N4O4 — CID 146289862

IUPAC3-[6-(4-methoxy-3-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccc(Oc2cc(N3C(=O)NC(C)(C)C3=O)ncn2)cc1C
InChIInChI=1S/C17H18N4O4/c1-10-7-11(5-6-12(10)24-4)25-14-8-13(18-9-19-14)21-15(22)17(2,3)20-16(21)23/h5-9H,1-4H3,(H,20,23)
InChIKeyRAOSZBXJJDPLDI-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.42
Rot. Bonds4

About 3-[6-(4-methoxy-3-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione

3-[6-(4-methoxy-3-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 146289862) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-[6-(4-methoxy-3-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[6-(4-methoxy-3-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID146289862
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name3-[6-(4-methoxy-3-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccc(Oc2cc(N3C(=O)NC(C)(C)C3=O)ncn2)cc1C
InChIInChI=1S/C17H18N4O4/c1-10-7-11(5-6-12(10)24-4)25-14-8-13(18-9-19-14)21-15(22)17(2,3)20-16(21)23/h5-9H,1-4H3,(H,20,23)
InChIKeyRAOSZBXJJDPLDI-UHFFFAOYSA-N
XLogP2.42
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.42
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 3-[6-(4-methoxy-3-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[6-(4-methoxy-3-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione (CID 146289862) is 3-[6-(4-methoxy-3-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[6-(4-methoxy-3-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[6-(4-methoxy-3-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione is COc1ccc(Oc2cc(N3C(=O)NC(C)(C)C3=O)ncn2)cc1C.
What is the InChIKey of 3-[6-(4-methoxy-3-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is RAOSZBXJJDPLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-10-7-11(5-6-12(10)24-4)25-14-8-13(18-9-19-14)21-15(22)17(2,3)20-16(21)23/h5-9H,1-4H3,(H,20,23).
What are the key properties of 3-[6-(4-methoxy-3-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
3-[6-(4-methoxy-3-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 342.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methoxy-3-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 146289862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).