N-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide

C14H17N3O2Si — CID 131851594

IUPACN-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide
SMILESC[Si](C)(C)n1ccc(NC(=O)c2ccccc2)nc1=O
InChIInChI=1S/C14H17N3O2Si/c1-20(2,3)17-10-9-12(16-14(17)19)15-13(18)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,15,16,18,19)
InChIKeyXTPBUHKXEAPUTQ-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.18
Rot. Bonds3

About N-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide

N-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide (PubChem CID 131851594) has the molecular formula C14H17N3O2Si and a molecular weight of 287.40 g/mol. Its IUPAC name is N-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide
PubChem CID131851594
Molecular FormulaC14H17N3O2Si
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC NameN-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide
SMILESC[Si](C)(C)n1ccc(NC(=O)c2ccccc2)nc1=O
InChIInChI=1S/C14H17N3O2Si/c1-20(2,3)17-10-9-12(16-14(17)19)15-13(18)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,15,16,18,19)
InChIKeyXTPBUHKXEAPUTQ-UHFFFAOYSA-N
XLogP2.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-[(4-benzamido-2-oxopyrimidin-1-yl)methyl]propanedioate
CID 101233783
N-[1-[6-(deuteriomethyl)-4-fluoro-5-methyloxan-3-yl]-2-oxopyrimidin-4-yl]benzamide
CID 58060772
N-[1-(4-fluoro-6-methyl-5-oxo-2H-pyran-2-yl)-2-oxopyrimidin-4-yl]benzamide
CID 45102696
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 13161410
N-[1-[5-(bromomethyl)-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 71336668
N-[2-oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxy(113C)methyl)(2,3,4,5,6-13C5)oxan-2-yl](613C,1,3-15N2)pyrimidin-4-yl](15N)benzamide
CID 10271516
N-[1-[(2R,3S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 126541466
[(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate
CID 118012119
N-[1-[(2S,3R,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 10853795
N-[1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 678698
N-[1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxythiolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 59628378
N-[1-[(2R,5R)-4-hydroxy-5-(2-oxopropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 57135950

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide?
The IUPAC name of N-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide (CID 131851594) is N-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide.
What is the SMILES notation for N-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide?
The canonical SMILES for N-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide is C[Si](C)(C)n1ccc(NC(=O)c2ccccc2)nc1=O.
What is the InChIKey of N-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide?
The InChIKey is XTPBUHKXEAPUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2Si/c1-20(2,3)17-10-9-12(16-14(17)19)15-13(18)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,15,16,18,19).
What are the key properties of N-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide?
N-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide has a molecular weight of 287.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 131851594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).