(5R)-5-ethyl-5-methyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazolidine-2,4-dione

C11H14N4O2S — CID 146289902

IUPAC(5R)-5-ethyl-5-methyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(c2ccnc(SC)n2)C1=O
InChIInChI=1S/C11H14N4O2S/c1-4-11(2)8(16)15(10(17)14-11)7-5-6-12-9(13-7)18-3/h5-6H,4H2,1-3H3,(H,14,17)/t11-/m1/s1
InChIKeyMNVMLPPJNBUAHA-LLVKDONJSA-N
MW266.33 g/mol
LogP1.42
Rot. Bonds3

About (5R)-5-ethyl-5-methyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazolidine-2,4-dione

(5R)-5-ethyl-5-methyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazolidine-2,4-dione (PubChem CID 146289902) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is (5R)-5-ethyl-5-methyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-5-methyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazolidine-2,4-dione
PubChem CID146289902
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name(5R)-5-ethyl-5-methyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(c2ccnc(SC)n2)C1=O
InChIInChI=1S/C11H14N4O2S/c1-4-11(2)8(16)15(10(17)14-11)7-5-6-12-9(13-7)18-3/h5-6H,4H2,1-3H3,(H,14,17)/t11-/m1/s1
InChIKeyMNVMLPPJNBUAHA-LLVKDONJSA-N
XLogP1.42
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-5-ethyl-5-methyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazolidine-2,4-dione with MolForge

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Related Compounds

1-(2-methylsulfanylpyrimidin-4-yl)-2H-indazol-3-one
CID 59743369
(5R)-5-ethyl-3-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]-5-methylimidazolidine-2,4-dione
CID 146264452
(5R)-3-[6-(2,3-dihydro-1-benzofuran-6-yloxy)-2-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 146264458
5-ethyl-5-methyl-3-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 79801162
4-(3-methyl-2H-imidazol-1-yl)-2-methylsulfanylpyrimidine
CID 159726836
7-(2-hydroxyethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72930580
3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
CID 64962248
6-fluoro-1-(2-methylsulfanylpyrimidin-4-yl)indole
CID 69307163
(5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97154315
(5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 137384358
(5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97131419
2-(3-hydroxypropyl)-9-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70781998

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-methyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-5-methyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazolidine-2,4-dione (CID 146289902) is (5R)-5-ethyl-5-methyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-5-methyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-5-methyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazolidine-2,4-dione is CC[C@@]1(C)NC(=O)N(c2ccnc(SC)n2)C1=O.
What is the InChIKey of (5R)-5-ethyl-5-methyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazolidine-2,4-dione?
The InChIKey is MNVMLPPJNBUAHA-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-4-11(2)8(16)15(10(17)14-11)7-5-6-12-9(13-7)18-3/h5-6H,4H2,1-3H3,(H,14,17)/t11-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-methyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazolidine-2,4-dione?
(5R)-5-ethyl-5-methyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazolidine-2,4-dione has a molecular weight of 266.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-methyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 146289902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).