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

C16H16N4O3 — CID 146289860

IUPAC5,5-dimethyl-3-[6-(2-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione
SMILESCc1ccccc1Oc1cc(N2C(=O)NC(C)(C)C2=O)ncn1
InChIInChI=1S/C16H16N4O3/c1-10-6-4-5-7-11(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)
InChIKeyYKJVNFDOLVSQDY-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.41
Rot. Bonds3

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

5,5-dimethyl-3-[6-(2-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione (PubChem CID 146289860) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5,5-dimethyl-3-[6-(2-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[6-(2-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione
PubChem CID146289860
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name5,5-dimethyl-3-[6-(2-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione
SMILESCc1ccccc1Oc1cc(N2C(=O)NC(C)(C)C2=O)ncn1
InChIInChI=1S/C16H16N4O3/c1-10-6-4-5-7-11(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)
InChIKeyYKJVNFDOLVSQDY-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

1-[2-[[4-(2,4,6-Trimethylphenoxy)pyrimidin-2-yl]amino]ethyl]pyrimidine-2,4-dione
CID 129909030
(E)-3-[4-[6-amino-2-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyrimidin-4-yl]oxy-3,5-dimethylphenyl]prop-2-enenitrile
CID 137661684
1-[2-[[4-Amino-6-(2,4,6-trimethylphenoxy)pyrimidin-2-yl]amino]ethyl]pyrimidine-2,4-dione
CID 129908795
1-[4-[6-(4-Fluoro-2-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 24715247
1-{4-[6-(2-Fluoro-5-methylphenoxy)pyrimidin-4-YL]piperazin-1-YL}propan-1-one
CID 24715351
1-[4-[6-(2-Fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 24715352
4-(4-Ethylpiperazin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine
CID 24715565
1-[4-[6-(2-Fluoro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]ethanone
CID 24715596
N-(6-((2-methoxybenzyl)oxy)pyrimidin-4-yl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 71795838
1-(Tert-butyl)-3-(6-((2-methoxybenzyl)oxy)pyrimidin-4-yl)urea
CID 71795843
4-(4-Cyclopropanecarbonyl-3-methylpiperazin-1-YL)-6-(4-fluoro-2-methylphenoxy)pyrimidine
CID 83287311
(E)-3-(4-methoxyphenyl)-N-(6-(4-methylpiperazin-1-yl)pyrimidin-4-yl)acrylamide
CID 90543787

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[6-(2-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[6-(2-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione (CID 146289860) is 5,5-dimethyl-3-[6-(2-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[6-(2-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[6-(2-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione is Cc1ccccc1Oc1cc(N2C(=O)NC(C)(C)C2=O)ncn1.
What is the InChIKey of 5,5-dimethyl-3-[6-(2-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is YKJVNFDOLVSQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10-6-4-5-7-11(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-(2-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[6-(2-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-(2-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 146289860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).