1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-methyl-6-phenylpyrimidine-2,4-dione

C20H30N2O4Si — CID 10091809

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-methyl-6-phenylpyrimidine-2,4-dione
SMILESCc1c(-c2ccccc2)n(COCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H30N2O4Si/c1-15-17(16-10-8-7-9-11-16)22(19(24)21-18(15)23)14-25-12-13-26-27(5,6)20(2,3)4/h7-11H,12-14H2,1-6H3,(H,21,23,24)
InChIKeyBAMNAVABFOCKCU-UHFFFAOYSA-N
MW390.56 g/mol
LogP3.51
Rot. Bonds7

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-methyl-6-phenylpyrimidine-2,4-dione

1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-methyl-6-phenylpyrimidine-2,4-dione (PubChem CID 10091809) has the molecular formula C20H30N2O4Si and a molecular weight of 390.56 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-methyl-6-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-methyl-6-phenylpyrimidine-2,4-dione
PubChem CID10091809
Molecular FormulaC20H30N2O4Si
Molecular Weight390.56 g/mol
Exact Mass390.20
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-methyl-6-phenylpyrimidine-2,4-dione
SMILESCc1c(-c2ccccc2)n(COCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H30N2O4Si/c1-15-17(16-10-8-7-9-11-16)22(19(24)21-18(15)23)14-25-12-13-26-27(5,6)20(2,3)4/h7-11H,12-14H2,1-6H3,(H,21,23,24)
InChIKeyBAMNAVABFOCKCU-UHFFFAOYSA-N
XLogP3.51
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-methyl-6-phenylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-methyl-6-phenylpyrimidine-2,4-dione (CID 10091809) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-methyl-6-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-methyl-6-phenylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-methyl-6-phenylpyrimidine-2,4-dione is Cc1c(-c2ccccc2)n(COCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-methyl-6-phenylpyrimidine-2,4-dione?
The InChIKey is BAMNAVABFOCKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4Si/c1-15-17(16-10-8-7-9-11-16)22(19(24)21-18(15)23)14-25-12-13-26-27(5,6)20(2,3)4/h7-11H,12-14H2,1-6H3,(H,21,23,24).
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-methyl-6-phenylpyrimidine-2,4-dione?
1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-methyl-6-phenylpyrimidine-2,4-dione has a molecular weight of 390.56 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-methyl-6-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 10091809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).