benzyl N-[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-2-(2-methylphenyl)-6-oxopyrimidin-5-yl]carbamate

C27H35N3O5Si — CID 142664856

IUPACbenzyl N-[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-2-(2-methylphenyl)-6-oxopyrimidin-5-yl]carbamate
SMILESCc1ccccc1-c1ncc(NC(=O)OCc2ccccc2)c(=O)n1CC(O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H35N3O5Si/c1-19-12-10-11-15-21(19)24-28-16-22(29-26(33)34-18-20-13-8-7-9-14-20)25(32)30(24)17-23(31)35-36(5,6)27(2,3)4/h7-16,23,31H,17-18H2,1-6H3,(H,29,33)
InChIKeyAIQXSQLOAGNBJF-UHFFFAOYSA-N
MW509.68 g/mol
LogP5.31
Rot. Bonds8

About benzyl N-[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-2-(2-methylphenyl)-6-oxopyrimidin-5-yl]carbamate

benzyl N-[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-2-(2-methylphenyl)-6-oxopyrimidin-5-yl]carbamate (PubChem CID 142664856) has the molecular formula C27H35N3O5Si and a molecular weight of 509.68 g/mol. Its IUPAC name is benzyl N-[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-2-(2-methylphenyl)-6-oxopyrimidin-5-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-2-(2-methylphenyl)-6-oxopyrimidin-5-yl]carbamate
PubChem CID142664856
Molecular FormulaC27H35N3O5Si
Molecular Weight509.68 g/mol
Exact Mass509.23
IUPAC Namebenzyl N-[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-2-(2-methylphenyl)-6-oxopyrimidin-5-yl]carbamate
SMILESCc1ccccc1-c1ncc(NC(=O)OCc2ccccc2)c(=O)n1CC(O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H35N3O5Si/c1-19-12-10-11-15-21(19)24-28-16-22(29-26(33)34-18-20-13-8-7-9-14-20)25(32)30(24)17-23(31)35-36(5,6)27(2,3)4/h7-16,23,31H,17-18H2,1-6H3,(H,29,33)
InChIKeyAIQXSQLOAGNBJF-UHFFFAOYSA-N
XLogP5.31
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.68
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze benzyl N-[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-2-(2-methylphenyl)-6-oxopyrimidin-5-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate
CID 10361338
2-[2-(4-chlorophenyl)-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid
CID 10093188
[2-(4-methylphenyl)-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl] acetate
CID 151530111
benzyl N-[1-[2-[[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-6-oxo-2-phenylpyrimidin-5-yl]carbamate
CID 70000642
benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate
CID 11161253
benzyl N-[2-(3-chlorophenyl)-6-oxo-1-(2-oxoethyl)pyrimidin-5-yl]carbamate
CID 15895419
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-[2-(4-fluorophenyl)-1-[2-[[(3S)-3-hydroxy-2,2-dimethyl-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propyl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]carbamate
CID 57307076
benzyl N-[1-[2-[[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]-2-oxoethyl]-6-oxo-2-thiophen-2-ylpyrimidin-5-yl]carbamate
CID 10030836
benzyl N-(3-methyl-4-pyridinyl)carbamate
CID 130580947
benzyl N-[1-[2-[[4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-1-phenylpentan-2-yl]amino]-2-oxoethyl]-2-(3-fluorophenyl)-6-oxopyrimidin-5-yl]carbamate
CID 134877454
2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 18172501

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-2-(2-methylphenyl)-6-oxopyrimidin-5-yl]carbamate?
The IUPAC name of benzyl N-[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-2-(2-methylphenyl)-6-oxopyrimidin-5-yl]carbamate (CID 142664856) is benzyl N-[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-2-(2-methylphenyl)-6-oxopyrimidin-5-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-2-(2-methylphenyl)-6-oxopyrimidin-5-yl]carbamate?
The canonical SMILES for benzyl N-[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-2-(2-methylphenyl)-6-oxopyrimidin-5-yl]carbamate is Cc1ccccc1-c1ncc(NC(=O)OCc2ccccc2)c(=O)n1CC(O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of benzyl N-[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-2-(2-methylphenyl)-6-oxopyrimidin-5-yl]carbamate?
The InChIKey is AIQXSQLOAGNBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O5Si/c1-19-12-10-11-15-21(19)24-28-16-22(29-26(33)34-18-20-13-8-7-9-14-20)25(32)30(24)17-23(31)35-36(5,6)27(2,3)4/h7-16,23,31H,17-18H2,1-6H3,(H,29,33).
What are the key properties of benzyl N-[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-2-(2-methylphenyl)-6-oxopyrimidin-5-yl]carbamate?
benzyl N-[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-2-(2-methylphenyl)-6-oxopyrimidin-5-yl]carbamate has a molecular weight of 509.68 g/mol, XLogP of 5.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-2-(2-methylphenyl)-6-oxopyrimidin-5-yl]carbamate is sourced from PubChem (CID 142664856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).