3-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]-N-(2-methylpropyl)benzamide

C20H27N3O2 — CID 126815644

IUPAC3-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(Cn2cnc(C(C)(C)C)cc2=O)c1
InChIInChI=1S/C20H27N3O2/c1-14(2)11-21-19(25)16-8-6-7-15(9-16)12-23-13-22-17(10-18(23)24)20(3,4)5/h6-10,13-14H,11-12H2,1-5H3,(H,21,25)
InChIKeyHXLRASOXSZWFRC-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.97
Rot. Bonds5

About 3-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]-N-(2-methylpropyl)benzamide

3-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]-N-(2-methylpropyl)benzamide (PubChem CID 126815644) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
PubChem CID126815644
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name3-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(Cn2cnc(C(C)(C)C)cc2=O)c1
InChIInChI=1S/C20H27N3O2/c1-14(2)11-21-19(25)16-8-6-7-15(9-16)12-23-13-22-17(10-18(23)24)20(3,4)5/h6-10,13-14H,11-12H2,1-5H3,(H,21,25)
InChIKeyHXLRASOXSZWFRC-UHFFFAOYSA-N
XLogP2.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-3-[[3-(difluoromethyl)phenyl]methyl]pyrimidin-4-one
CID 126813591
3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 3238106
N,3-bis(2-methylpropyl)benzamide
CID 176945198
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 59387439
3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 111123246
3-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-N-(2-methylpropyl)benzamide
CID 136518363
3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 126806827
3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 86883330
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide
CID 177180681
3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide
CID 111488384
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46055817

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]-N-(2-methylpropyl)benzamide (CID 126815644) is 3-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(Cn2cnc(C(C)(C)C)cc2=O)c1.
What is the InChIKey of 3-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is HXLRASOXSZWFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(2)11-21-19(25)16-8-6-7-15(9-16)12-23-13-22-17(10-18(23)24)20(3,4)5/h6-10,13-14H,11-12H2,1-5H3,(H,21,25).
What are the key properties of 3-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]-N-(2-methylpropyl)benzamide?
3-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 341.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 126815644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).