1-butyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]cyclohexyl]-5-(hydroxymethyl)-6-methylpyrimidine-2,4-dione

C28H48N4O6Si — CID 171536595

IUPAC1-butyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]cyclohexyl]-5-(hydroxymethyl)-6-methylpyrimidine-2,4-dione
SMILESCCCCn1c(C)c(CO)c(=O)n(C2CCC(CN3C(=O)N(COCC[Si](C)(C)C)C(=O)C3(C)C)CC2)c1=O
InChIInChI=1S/C28H48N4O6Si/c1-8-9-14-29-20(2)23(18-33)24(34)32(27(29)37)22-12-10-21(11-13-22)17-31-26(36)30(25(35)28(31,3)4)19-38-15-16-39(5,6)7/h21-22,33H,8-19H2,1-7H3
InChIKeyCTKOZNLCWVNWDZ-UHFFFAOYSA-N
MW564.80 g/mol
LogP3.70
Rot. Bonds12

About 1-butyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]cyclohexyl]-5-(hydroxymethyl)-6-methylpyrimidine-2,4-dione

1-butyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]cyclohexyl]-5-(hydroxymethyl)-6-methylpyrimidine-2,4-dione (PubChem CID 171536595) has the molecular formula C28H48N4O6Si and a molecular weight of 564.80 g/mol. Its IUPAC name is 1-butyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]cyclohexyl]-5-(hydroxymethyl)-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]cyclohexyl]-5-(hydroxymethyl)-6-methylpyrimidine-2,4-dione
PubChem CID171536595
Molecular FormulaC28H48N4O6Si
Molecular Weight564.80 g/mol
Exact Mass564.33
IUPAC Name1-butyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]cyclohexyl]-5-(hydroxymethyl)-6-methylpyrimidine-2,4-dione
SMILESCCCCn1c(C)c(CO)c(=O)n(C2CCC(CN3C(=O)N(COCC[Si](C)(C)C)C(=O)C3(C)C)CC2)c1=O
InChIInChI=1S/C28H48N4O6Si/c1-8-9-14-29-20(2)23(18-33)24(34)32(27(29)37)22-12-10-21(11-13-22)17-31-26(36)30(25(35)28(31,3)4)19-38-15-16-39(5,6)7/h21-22,33H,8-19H2,1-7H3
InChIKeyCTKOZNLCWVNWDZ-UHFFFAOYSA-N
XLogP3.70
TPSA114.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.80
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]cyclohexyl]-5-(hydroxymethyl)-6-methylpyrimidine-2,4-dione?
The IUPAC name of 1-butyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]cyclohexyl]-5-(hydroxymethyl)-6-methylpyrimidine-2,4-dione (CID 171536595) is 1-butyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]cyclohexyl]-5-(hydroxymethyl)-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]cyclohexyl]-5-(hydroxymethyl)-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]cyclohexyl]-5-(hydroxymethyl)-6-methylpyrimidine-2,4-dione is CCCCn1c(C)c(CO)c(=O)n(C2CCC(CN3C(=O)N(COCC[Si](C)(C)C)C(=O)C3(C)C)CC2)c1=O.
What is the InChIKey of 1-butyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]cyclohexyl]-5-(hydroxymethyl)-6-methylpyrimidine-2,4-dione?
The InChIKey is CTKOZNLCWVNWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N4O6Si/c1-8-9-14-29-20(2)23(18-33)24(34)32(27(29)37)22-12-10-21(11-13-22)17-31-26(36)30(25(35)28(31,3)4)19-38-15-16-39(5,6)7/h21-22,33H,8-19H2,1-7H3.
What are the key properties of 1-butyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]cyclohexyl]-5-(hydroxymethyl)-6-methylpyrimidine-2,4-dione?
1-butyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]cyclohexyl]-5-(hydroxymethyl)-6-methylpyrimidine-2,4-dione has a molecular weight of 564.80 g/mol, XLogP of 3.70, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]cyclohexyl]-5-(hydroxymethyl)-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 171536595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).