N-(2,6-dimethoxypyrimidin-4-yl)benzamide

C13H13N3O3 — CID 3867896

IUPACN-(2,6-dimethoxypyrimidin-4-yl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)nc(OC)n1
InChIInChI=1S/C13H13N3O3/c1-18-11-8-10(15-13(16-11)19-2)14-12(17)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)
InChIKeyKHTWANKRBONEDH-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.75
Rot. Bonds4

About N-(2,6-dimethoxypyrimidin-4-yl)benzamide

N-(2,6-dimethoxypyrimidin-4-yl)benzamide (PubChem CID 3867896) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(2,6-dimethoxypyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(2,6-dimethoxypyrimidin-4-yl)benzamide
PubChem CID3867896
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-(2,6-dimethoxypyrimidin-4-yl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)nc(OC)n1
InChIInChI=1S/C13H13N3O3/c1-18-11-8-10(15-13(16-11)19-2)14-12(17)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)
InChIKeyKHTWANKRBONEDH-UHFFFAOYSA-N
XLogP1.75
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 698520
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1076758
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
methyl N-(2,6-dimethoxypyrimidin-4-yl)carbamate
CID 102191520
N-(2,6-dimethoxypyrimidin-4-yl)-4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 1270850
N-(2-aminophenyl)-4-[[(2,6-dimethoxypyrimidin-4-yl)amino]methyl]benzamide
CID 22478791
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 3643787
3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 3635765
N-[3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3114470
N-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide
CID 58205143
N-[3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
CID 3122774
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-ethoxybenzamide
CID 1381291

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)benzamide?
The IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)benzamide (CID 3867896) is N-(2,6-dimethoxypyrimidin-4-yl)benzamide.
What is the SMILES notation for N-(2,6-dimethoxypyrimidin-4-yl)benzamide?
The canonical SMILES for N-(2,6-dimethoxypyrimidin-4-yl)benzamide is COc1cc(NC(=O)c2ccccc2)nc(OC)n1.
What is the InChIKey of N-(2,6-dimethoxypyrimidin-4-yl)benzamide?
The InChIKey is KHTWANKRBONEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-18-11-8-10(15-13(16-11)19-2)14-12(17)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17).
What are the key properties of N-(2,6-dimethoxypyrimidin-4-yl)benzamide?
N-(2,6-dimethoxypyrimidin-4-yl)benzamide has a molecular weight of 259.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxypyrimidin-4-yl)benzamide is sourced from PubChem (CID 3867896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).