N-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]-2-oxopyrimidin-4-yl]imidazole-1-carboxamide

C24H33N5O3Si — CID 162516483

IUPACN-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]-2-oxopyrimidin-4-yl]imidazole-1-carboxamide
SMILESCCC(Cc1ccc(-n2ccc(NC(=O)n3ccnc3)nc2=O)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H33N5O3Si/c1-7-20(32-33(5,6)24(2,3)4)16-18-8-10-19(11-9-18)29-14-12-21(27-23(29)31)26-22(30)28-15-13-25-17-28/h8-15,17,20H,7,16H2,1-6H3,(H,26,27,30,31)
InChIKeyOKDCFJNKAQHLLM-UHFFFAOYSA-N
MW467.65 g/mol
LogP4.85
Rot. Bonds7

About N-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]-2-oxopyrimidin-4-yl]imidazole-1-carboxamide

N-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]-2-oxopyrimidin-4-yl]imidazole-1-carboxamide (PubChem CID 162516483) has the molecular formula C24H33N5O3Si and a molecular weight of 467.65 g/mol. Its IUPAC name is N-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]-2-oxopyrimidin-4-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]-2-oxopyrimidin-4-yl]imidazole-1-carboxamide
PubChem CID162516483
Molecular FormulaC24H33N5O3Si
Molecular Weight467.65 g/mol
Exact Mass467.24
IUPAC NameN-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]-2-oxopyrimidin-4-yl]imidazole-1-carboxamide
SMILESCCC(Cc1ccc(-n2ccc(NC(=O)n3ccnc3)nc2=O)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H33N5O3Si/c1-7-20(32-33(5,6)24(2,3)4)16-18-8-10-19(11-9-18)29-14-12-21(27-23(29)31)26-22(30)28-15-13-25-17-28/h8-15,17,20H,7,16H2,1-6H3,(H,26,27,30,31)
InChIKeyOKDCFJNKAQHLLM-UHFFFAOYSA-N
XLogP4.85
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.65
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[1-[4-[[1-[4-(2-hydroxybutyl)phenyl]-2-oxopyrimidin-4-yl]carbamoyl]piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]carbamic acid
CID 154998606
[1-[4-[[1-[4-(2-hydroxybutyl)phenyl]-2-oxopyrimidin-4-yl]carbamoyl]piperazin-1-yl]-2-methyl-1-oxopropan-2-yl] carbamate
CID 175190642
N-(1-hexyl-2-oxopyrimidin-4-yl)imidazole-1-carboxamide
CID 71039020
N-[1-[4-[2-[(3-aminocyclobutyl)methyl-ethylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide
CID 154652123
N-[1-[4-[(2R)-2-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]propyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide
CID 167383568
methyl (2R)-3-[4-[4-[[4-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazine-1-carbonyl]amino]-2-oxopyrimidin-1-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 154651359
4-(2-amino-2-methylpropanoyl)-N-[1-[4-[2-(methylamino)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154652658
N-[1-[4-[(2S)-2-amino-3-(4-aminoazepan-1-yl)-3-oxopropyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide
CID 154651386
N-[1-[4-[2-[[(3R)-3-aminocyclohexyl]methyl-ethylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide
CID 154651589
N-[1-[4-[(2S)-2-amino-3-(3-aminoazetidin-1-yl)-3-oxopropyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 155008500
N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-methylpentyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide
CID 175862960
tert-butyl N-[[(1R,5S)-3-[1-[4-[4-[[4-(2-amino-2-methylpropanoyl)piperazine-1-carbonyl]amino]-2-oxopyrimidin-1-yl]phenyl]propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
CID 167383280

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]-2-oxopyrimidin-4-yl]imidazole-1-carboxamide?
The IUPAC name of N-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]-2-oxopyrimidin-4-yl]imidazole-1-carboxamide (CID 162516483) is N-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]-2-oxopyrimidin-4-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]-2-oxopyrimidin-4-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]-2-oxopyrimidin-4-yl]imidazole-1-carboxamide is CCC(Cc1ccc(-n2ccc(NC(=O)n3ccnc3)nc2=O)cc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]-2-oxopyrimidin-4-yl]imidazole-1-carboxamide?
The InChIKey is OKDCFJNKAQHLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3Si/c1-7-20(32-33(5,6)24(2,3)4)16-18-8-10-19(11-9-18)29-14-12-21(27-23(29)31)26-22(30)28-15-13-25-17-28/h8-15,17,20H,7,16H2,1-6H3,(H,26,27,30,31).
What are the key properties of N-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]-2-oxopyrimidin-4-yl]imidazole-1-carboxamide?
N-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]-2-oxopyrimidin-4-yl]imidazole-1-carboxamide has a molecular weight of 467.65 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]-2-oxopyrimidin-4-yl]imidazole-1-carboxamide is sourced from PubChem (CID 162516483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).