2-methyl-N-(4-methylpyrimidin-2-yl)benzamide

C13H13N3O — CID 132962288

IUPAC2-methyl-N-(4-methylpyrimidin-2-yl)benzamide
SMILESCc1ccnc(NC(=O)c2ccccc2C)n1
InChIInChI=1S/C13H13N3O/c1-9-5-3-4-6-11(9)12(17)16-13-14-8-7-10(2)15-13/h3-8H,1-2H3,(H,14,15,16,17)
InChIKeyWZIXYRHIFBXJJX-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.35
Rot. Bonds2

About 2-methyl-N-(4-methylpyrimidin-2-yl)benzamide

2-methyl-N-(4-methylpyrimidin-2-yl)benzamide (PubChem CID 132962288) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-methyl-N-(4-methylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylpyrimidin-2-yl)benzamide
PubChem CID132962288
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-methyl-N-(4-methylpyrimidin-2-yl)benzamide
SMILESCc1ccnc(NC(=O)c2ccccc2C)n1
InChIInChI=1S/C13H13N3O/c1-9-5-3-4-6-11(9)12(17)16-13-14-8-7-10(2)15-13/h3-8H,1-2H3,(H,14,15,16,17)
InChIKeyWZIXYRHIFBXJJX-UHFFFAOYSA-N
XLogP2.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide
CID 6481030
2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide
CID 802099
N-(1H-imidazol-2-yl)-2-methylbenzamide
CID 60968635
N-(3-hydroxy-2-pyridinyl)-2-methylbenzamide
CID 110462446
2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 71985815
N-[6-(aminomethyl)-2-pyridinyl]-2-methylbenzamide
CID 82343825
1-[(4-fluorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide
CID 7597790
1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide
CID 7598099
4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide
CID 114052523
2-methyl-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241558
2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114386754
1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine
CID 139390411

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylpyrimidin-2-yl)benzamide?
The IUPAC name of 2-methyl-N-(4-methylpyrimidin-2-yl)benzamide (CID 132962288) is 2-methyl-N-(4-methylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(4-methylpyrimidin-2-yl)benzamide?
The canonical SMILES for 2-methyl-N-(4-methylpyrimidin-2-yl)benzamide is Cc1ccnc(NC(=O)c2ccccc2C)n1.
What is the InChIKey of 2-methyl-N-(4-methylpyrimidin-2-yl)benzamide?
The InChIKey is WZIXYRHIFBXJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-5-3-4-6-11(9)12(17)16-13-14-8-7-10(2)15-13/h3-8H,1-2H3,(H,14,15,16,17).
What are the key properties of 2-methyl-N-(4-methylpyrimidin-2-yl)benzamide?
2-methyl-N-(4-methylpyrimidin-2-yl)benzamide has a molecular weight of 227.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 132962288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).