5-ethyl-1-methyl-2-methylsulfanyl-5-phenylpyrimidine-4,6-dione

C14H16N2O2S — CID 86176852

IUPAC5-ethyl-1-methyl-2-methylsulfanyl-5-phenylpyrimidine-4,6-dione
SMILESCCC1(c2ccccc2)C(=O)N=C(SC)N(C)C1=O
InChIInChI=1S/C14H16N2O2S/c1-4-14(10-8-6-5-7-9-10)11(17)15-13(19-3)16(2)12(14)18/h5-9H,4H2,1-3H3
InChIKeyMRANAFNHHDZFAD-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.05
Rot. Bonds2

About 5-ethyl-1-methyl-2-methylsulfanyl-5-phenylpyrimidine-4,6-dione

5-ethyl-1-methyl-2-methylsulfanyl-5-phenylpyrimidine-4,6-dione (PubChem CID 86176852) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-ethyl-1-methyl-2-methylsulfanyl-5-phenylpyrimidine-4,6-dione.

Molecular Properties

Compound Name5-ethyl-1-methyl-2-methylsulfanyl-5-phenylpyrimidine-4,6-dione
PubChem CID86176852
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name5-ethyl-1-methyl-2-methylsulfanyl-5-phenylpyrimidine-4,6-dione
SMILESCCC1(c2ccccc2)C(=O)N=C(SC)N(C)C1=O
InChIInChI=1S/C14H16N2O2S/c1-4-14(10-8-6-5-7-9-10)11(17)15-13(19-3)16(2)12(14)18/h5-9H,4H2,1-3H3
InChIKeyMRANAFNHHDZFAD-UHFFFAOYSA-N
XLogP2.05
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-1,3-bis(methylsulfanylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 548425
1-[2-(diethylamino)ethyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 14414
1,3-bis[tert-butyl(dimethyl)silyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 91744808
(5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione
CID 45095321
1,4-dibenzyl-6-ethyl-6-phenyl-1,4-diazepane-5,7-dione
CID 11971389
diethyl-[2-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)ethyl]-methylazanium
CID 3083946
5-ethyl-1-methyl-5-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazinane-2,4,6-trione
CID 600468
3-[(5R)-5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl]propanoic acid
CID 67864262
magnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate)
CID 56842055
5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 165342736
diethyl-[2-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)ethyl]-methylazanium iodide
CID 3083945
5-ethyl-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033297

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-2-methylsulfanyl-5-phenylpyrimidine-4,6-dione?
The IUPAC name of 5-ethyl-1-methyl-2-methylsulfanyl-5-phenylpyrimidine-4,6-dione (CID 86176852) is 5-ethyl-1-methyl-2-methylsulfanyl-5-phenylpyrimidine-4,6-dione.
What is the SMILES notation for 5-ethyl-1-methyl-2-methylsulfanyl-5-phenylpyrimidine-4,6-dione?
The canonical SMILES for 5-ethyl-1-methyl-2-methylsulfanyl-5-phenylpyrimidine-4,6-dione is CCC1(c2ccccc2)C(=O)N=C(SC)N(C)C1=O.
What is the InChIKey of 5-ethyl-1-methyl-2-methylsulfanyl-5-phenylpyrimidine-4,6-dione?
The InChIKey is MRANAFNHHDZFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-4-14(10-8-6-5-7-9-10)11(17)15-13(19-3)16(2)12(14)18/h5-9H,4H2,1-3H3.
What are the key properties of 5-ethyl-1-methyl-2-methylsulfanyl-5-phenylpyrimidine-4,6-dione?
5-ethyl-1-methyl-2-methylsulfanyl-5-phenylpyrimidine-4,6-dione has a molecular weight of 276.36 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-2-methylsulfanyl-5-phenylpyrimidine-4,6-dione is sourced from PubChem (CID 86176852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).