benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate

C20H17N3O4 — CID 10361338

IUPACbenzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate
SMILESO=CCn1c(-c2ccccc2)ncc(NC(=O)OCc2ccccc2)c1=O
InChIInChI=1S/C20H17N3O4/c24-12-11-23-18(16-9-5-2-6-10-16)21-13-17(19(23)25)22-20(26)27-14-15-7-3-1-4-8-15/h1-10,12-13H,11,14H2,(H,22,26)
InChIKeyYHBUHBUMVBCLKV-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.86
Rot. Bonds6

About benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate

benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate (PubChem CID 10361338) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate
PubChem CID10361338
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Namebenzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate
SMILESO=CCn1c(-c2ccccc2)ncc(NC(=O)OCc2ccccc2)c1=O
InChIInChI=1S/C20H17N3O4/c24-12-11-23-18(16-9-5-2-6-10-16)21-13-17(19(23)25)22-20(26)27-14-15-7-3-1-4-8-15/h1-10,12-13H,11,14H2,(H,22,26)
InChIKeyYHBUHBUMVBCLKV-UHFFFAOYSA-N
XLogP2.86
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[2-(3-chlorophenyl)-6-oxo-1-(2-oxoethyl)pyrimidin-5-yl]carbamate
CID 15895419
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-[[5-(benzylamino)-4,4-difluoro-3,5-dioxo-1-phenylpentan-2-yl]amino]-2-oxoethyl]-6-oxo-2-phenylpyrimidin-5-yl]carbamate
CID 10652253
2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde
CID 57271576
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-[1-[2-[[3,3-difluoro-2,4-dioxo-4-[2-(2-propan-2-ylphenyl)ethylamino]butyl]amino]-2-oxoethyl]-6-oxo-2-phenylpyrimidin-5-yl]carbamate
CID 154422160
benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate
CID 11161253
benzyl N-[2-(4-nitrophenyl)-6-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]pyrimidin-5-yl]carbamate
CID 10415744
benzyl N-[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-2-(2-methylphenyl)-6-oxopyrimidin-5-yl]carbamate
CID 142664856
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
benzyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate
CID 130581136

Frequently Asked Questions

What is the IUPAC name of benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate?
The IUPAC name of benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate (CID 10361338) is benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate.
What is the SMILES notation for benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate?
The canonical SMILES for benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate is O=CCn1c(-c2ccccc2)ncc(NC(=O)OCc2ccccc2)c1=O.
What is the InChIKey of benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate?
The InChIKey is YHBUHBUMVBCLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-12-11-23-18(16-9-5-2-6-10-16)21-13-17(19(23)25)22-20(26)27-14-15-7-3-1-4-8-15/h1-10,12-13H,11,14H2,(H,22,26).
What are the key properties of benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate?
benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate has a molecular weight of 363.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate is sourced from PubChem (CID 10361338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).