5,5-dimethyl-3-[6-(4-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione

C16H16N4O3 — CID 146289812

IUPAC5,5-dimethyl-3-[6-(4-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione
SMILESCc1ccc(Oc2cc(N3C(=O)NC(C)(C)C3=O)ncn2)cc1
InChIInChI=1S/C16H16N4O3/c1-10-4-6-11(7-5-10)23-13-8-12(17-9-18-13)20-14(21)16(2,3)19-15(20)22/h4-9H,1-3H3,(H,19,22)
InChIKeyXYWKUZMBAZJAMY-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.41
Rot. Bonds3

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

5,5-dimethyl-3-[6-(4-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione (PubChem CID 146289812) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5,5-dimethyl-3-[6-(4-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[6-(4-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione
PubChem CID146289812
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name5,5-dimethyl-3-[6-(4-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione
SMILESCc1ccc(Oc2cc(N3C(=O)NC(C)(C)C3=O)ncn2)cc1
InChIInChI=1S/C16H16N4O3/c1-10-4-6-11(7-5-10)23-13-8-12(17-9-18-13)20-14(21)16(2,3)19-15(20)22/h4-9H,1-3H3,(H,19,22)
InChIKeyXYWKUZMBAZJAMY-UHFFFAOYSA-N
XLogP2.41
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine
CID 91633793
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
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine
CID 850309
3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-4-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 146264574
4-(4-methylphenoxy)-1H-pyrimidin-6-one
CID 103240916
3-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
CID 146289818
3-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione
CID 164732717
3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
CID 164732718
ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42806339
2-[4-[6-(4-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 42806342

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[6-(4-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[6-(4-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione (CID 146289812) is 5,5-dimethyl-3-[6-(4-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[6-(4-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[6-(4-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione is Cc1ccc(Oc2cc(N3C(=O)NC(C)(C)C3=O)ncn2)cc1.
What is the InChIKey of 5,5-dimethyl-3-[6-(4-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is XYWKUZMBAZJAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10-4-6-11(7-5-10)23-13-8-12(17-9-18-13)20-14(21)16(2,3)19-15(20)22/h4-9H,1-3H3,(H,19,22).
What are the key properties of 5,5-dimethyl-3-[6-(4-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[6-(4-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 312.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[6-(4-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 146289812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).