1-[2-[tert-butyl(diphenyl)silyl]oxyprop-2-enoxymethyl]-5-methylpyrimidine-2,4-dione

C25H30N2O4Si — CID 101263285

IUPAC1-[2-[tert-butyl(diphenyl)silyl]oxyprop-2-enoxymethyl]-5-methylpyrimidine-2,4-dione
SMILESC=C(COCn1cc(C)c(=O)[nH]c1=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H30N2O4Si/c1-19-16-27(24(29)26-23(19)28)18-30-17-20(2)31-32(25(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-16H,2,17-18H2,1,3-5H3,(H,26,28,29)
InChIKeyVYRLJPCKXIRYLD-UHFFFAOYSA-N
MW450.61 g/mol
LogP2.91
Rot. Bonds8

About 1-[2-[tert-butyl(diphenyl)silyl]oxyprop-2-enoxymethyl]-5-methylpyrimidine-2,4-dione

1-[2-[tert-butyl(diphenyl)silyl]oxyprop-2-enoxymethyl]-5-methylpyrimidine-2,4-dione (PubChem CID 101263285) has the molecular formula C25H30N2O4Si and a molecular weight of 450.61 g/mol. Its IUPAC name is 1-[2-[tert-butyl(diphenyl)silyl]oxyprop-2-enoxymethyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[tert-butyl(diphenyl)silyl]oxyprop-2-enoxymethyl]-5-methylpyrimidine-2,4-dione
PubChem CID101263285
Molecular FormulaC25H30N2O4Si
Molecular Weight450.61 g/mol
Exact Mass450.20
IUPAC Name1-[2-[tert-butyl(diphenyl)silyl]oxyprop-2-enoxymethyl]-5-methylpyrimidine-2,4-dione
SMILESC=C(COCn1cc(C)c(=O)[nH]c1=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H30N2O4Si/c1-19-16-27(24(29)26-23(19)28)18-30-17-20(2)31-32(25(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-16H,2,17-18H2,1,3-5H3,(H,26,28,29)
InChIKeyVYRLJPCKXIRYLD-UHFFFAOYSA-N
XLogP2.91
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione
CID 70375402
1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione;2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl benzoate
CID 158075626
N-[1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-yl]-N-(diethoxyphosphorylmethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 102436522
1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 10695945
1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodo-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 11114591
1-[(2-hydroxy-1-phenylethoxy)methyl]-5-methylpyrimidine-2,4-dione
CID 10423568
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789
1-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]-5-methylpyrimidine-2,4-dione
CID 10368003
1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione
CID 116790659
1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 57408004
1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15101776
ethyl (3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-5-carboxylate
CID 23247083

Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(diphenyl)silyl]oxyprop-2-enoxymethyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-[tert-butyl(diphenyl)silyl]oxyprop-2-enoxymethyl]-5-methylpyrimidine-2,4-dione (CID 101263285) is 1-[2-[tert-butyl(diphenyl)silyl]oxyprop-2-enoxymethyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[tert-butyl(diphenyl)silyl]oxyprop-2-enoxymethyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[tert-butyl(diphenyl)silyl]oxyprop-2-enoxymethyl]-5-methylpyrimidine-2,4-dione is C=C(COCn1cc(C)c(=O)[nH]c1=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[2-[tert-butyl(diphenyl)silyl]oxyprop-2-enoxymethyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is VYRLJPCKXIRYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4Si/c1-19-16-27(24(29)26-23(19)28)18-30-17-20(2)31-32(25(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-16H,2,17-18H2,1,3-5H3,(H,26,28,29).
What are the key properties of 1-[2-[tert-butyl(diphenyl)silyl]oxyprop-2-enoxymethyl]-5-methylpyrimidine-2,4-dione?
1-[2-[tert-butyl(diphenyl)silyl]oxyprop-2-enoxymethyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 450.61 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(diphenyl)silyl]oxyprop-2-enoxymethyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 101263285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).