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

C13H13N3O3 — CID 4270193

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

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

N-(4,6-dimethoxypyrimidin-2-yl)benzamide (PubChem CID 4270193) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)benzamide
PubChem CID4270193
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)benzamide
SMILESCOc1cc(OC)nc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C13H13N3O3/c1-18-10-8-11(19-2)15-13(14-10)16-12(17)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)
InChIKeyRFZNEIHLLQBFMO-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

N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide
CID 107689719
N-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 3867896
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide
CID 114053555
3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 103916876
1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
CID 134822106
N-(4,6-dimethoxypyrimidin-2-yl)-2-phenylpropanamide
CID 71620621
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-(methylamino)benzamide
CID 107603439
2-anilino-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 103606554
N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide
CID 20896233
N-(4,6-dimethoxypyrimidin-2-yl)carbamate
CID 22648732
N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide
CID 5018775
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
CID 20896243

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)benzamide?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)benzamide (CID 4270193) is N-(4,6-dimethoxypyrimidin-2-yl)benzamide.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)benzamide?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)benzamide is COc1cc(OC)nc(NC(=O)c2ccccc2)n1.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)benzamide?
The InChIKey is RFZNEIHLLQBFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-18-10-8-11(19-2)15-13(14-10)16-12(17)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17).
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)benzamide?
N-(4,6-dimethoxypyrimidin-2-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-(4,6-dimethoxypyrimidin-2-yl)benzamide is sourced from PubChem (CID 4270193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).