1,3-bis[tert-butyl(dimethyl)silyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

C24H40N2O3Si2 — CID 91744808

IUPAC1,3-bis[tert-butyl(dimethyl)silyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)N([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C24H40N2O3Si2/c1-12-24(18-16-14-13-15-17-18)19(27)25(30(8,9)22(2,3)4)21(29)26(20(24)28)31(10,11)23(5,6)7/h13-17H,12H2,1-11H3
InChIKeyRYNBCZIIFYLNMN-UHFFFAOYSA-N
MW460.77 g/mol
LogP6.14
Rot. Bonds4

About 1,3-bis[tert-butyl(dimethyl)silyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

1,3-bis[tert-butyl(dimethyl)silyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 91744808) has the molecular formula C24H40N2O3Si2 and a molecular weight of 460.77 g/mol. Its IUPAC name is 1,3-bis[tert-butyl(dimethyl)silyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis[tert-butyl(dimethyl)silyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID91744808
Molecular FormulaC24H40N2O3Si2
Molecular Weight460.77 g/mol
Exact Mass460.26
IUPAC Name1,3-bis[tert-butyl(dimethyl)silyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)N([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C24H40N2O3Si2/c1-12-24(18-16-14-13-15-17-18)19(27)25(30(8,9)22(2,3)4)21(29)26(20(24)28)31(10,11)23(5,6)7/h13-17H,12H2,1-11H3
InChIKeyRYNBCZIIFYLNMN-UHFFFAOYSA-N
XLogP6.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.77
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-dibenzyl-6-ethyl-6-phenyl-1,4-diazepane-5,7-dione
CID 11971389
5-ethyl-1,3-bis(methylsulfanylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 548425
5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 165342736
5-ethyl-5-phenyl-1,3-bis(trimethylsilyl)imidazolidine-2,4-dione
CID 140848439
1,3-bis[4-(diethylamino)but-2-ynyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 15931
5-ethyl-1-methyl-2-methylsulfanyl-5-phenylpyrimidine-4,6-dione
CID 86176852
1-benzyl-5-ethyl-5-phenyl-3-trimethylsilylimidazolidine-2,4-dione
CID 140848451
magnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate)
CID 56842055
1,3-bis[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 24834068
1,4-dioxane;bis(5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione)
CID 139042175
tetrakis(1,4-dioxane);tetrakis(5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione)
CID 139042176
5-ethyl-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033297

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[tert-butyl(dimethyl)silyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-bis[tert-butyl(dimethyl)silyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione (CID 91744808) is 1,3-bis[tert-butyl(dimethyl)silyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis[tert-butyl(dimethyl)silyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis[tert-butyl(dimethyl)silyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione is CCC1(c2ccccc2)C(=O)N([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of 1,3-bis[tert-butyl(dimethyl)silyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is RYNBCZIIFYLNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O3Si2/c1-12-24(18-16-14-13-15-17-18)19(27)25(30(8,9)22(2,3)4)21(29)26(20(24)28)31(10,11)23(5,6)7/h13-17H,12H2,1-11H3.
What are the key properties of 1,3-bis[tert-butyl(dimethyl)silyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
1,3-bis[tert-butyl(dimethyl)silyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 460.77 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[tert-butyl(dimethyl)silyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 91744808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).