4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide

C17H21N3O3 — CID 122303930

IUPAC4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide
SMILESCOc1ncc(NC(=O)c2ccc(C(C)(C)C)cc2)c(OC)n1
InChIInChI=1S/C17H21N3O3/c1-17(2,3)12-8-6-11(7-9-12)14(21)19-13-10-18-16(23-5)20-15(13)22-4/h6-10H,1-5H3,(H,19,21)
InChIKeyOUCPSEMEGLCRNW-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.04
Rot. Bonds4

About 4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide

4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide (PubChem CID 122303930) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide
PubChem CID122303930
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide
SMILESCOc1ncc(NC(=O)c2ccc(C(C)(C)C)cc2)c(OC)n1
InChIInChI=1S/C17H21N3O3/c1-17(2,3)12-8-6-11(7-9-12)14(21)19-13-10-18-16(23-5)20-15(13)22-4/h6-10H,1-5H3,(H,19,21)
InChIKeyOUCPSEMEGLCRNW-UHFFFAOYSA-N
XLogP3.04
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide
CID 71807571
4-tert-butyl-N-(2-methoxyquinolin-3-yl)benzamide
CID 66815726
4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
CID 122319529
5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide
CID 71807581
4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide
CID 122304110
N-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
CID 172855459
N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide
CID 122304064
N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122304021
N-(2,4-diethoxypyrimidin-5-yl)-4-iodobenzamide
CID 122304596
N-(2,4-dimethoxypyrimidin-5-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122304066
N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122304031
N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 122304022

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide (CID 122303930) is 4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide is COc1ncc(NC(=O)c2ccc(C(C)(C)C)cc2)c(OC)n1.
What is the InChIKey of 4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide?
The InChIKey is OUCPSEMEGLCRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-17(2,3)12-8-6-11(7-9-12)14(21)19-13-10-18-16(23-5)20-15(13)22-4/h6-10H,1-5H3,(H,19,21).
What are the key properties of 4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide?
4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide has a molecular weight of 315.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide is sourced from PubChem (CID 122303930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).