3-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione

C15H15N5O4 — CID 164732717

IUPAC3-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1cccc(Oc2ncnc(N3C(=O)NC(C)(C)C3=O)n2)c1
InChIInChI=1S/C15H15N5O4/c1-15(2)11(21)20(14(22)19-15)12-16-8-17-13(18-12)24-10-6-4-5-9(7-10)23-3/h4-8H,1-3H3,(H,19,22)
InChIKeyFFTDOIHLOXNODK-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.51
Rot. Bonds4

About 3-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione

3-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 164732717) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is 3-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID164732717
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name3-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1cccc(Oc2ncnc(N3C(=O)NC(C)(C)C3=O)n2)c1
InChIInChI=1S/C15H15N5O4/c1-15(2)11(21)20(14(22)19-15)12-16-8-17-13(18-12)24-10-6-4-5-9(7-10)23-3/h4-8H,1-3H3,(H,19,22)
InChIKeyFFTDOIHLOXNODK-UHFFFAOYSA-N
XLogP1.51
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione (CID 164732717) is 3-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione is COc1cccc(Oc2ncnc(N3C(=O)NC(C)(C)C3=O)n2)c1.
What is the InChIKey of 3-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is FFTDOIHLOXNODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4/c1-15(2)11(21)20(14(22)19-15)12-16-8-17-13(18-12)24-10-6-4-5-9(7-10)23-3/h4-8H,1-3H3,(H,19,22).
What are the key properties of 3-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione?
3-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 329.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 164732717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).