2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide

C14H15N3O — CID 70846240

IUPAC2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccccc2C)ncn1
InChIInChI=1S/C14H15N3O/c1-10-5-3-4-6-13(10)14(18)15-8-12-7-11(2)16-9-17-12/h3-7,9H,8H2,1-2H3,(H,15,18)
InChIKeyCNQSPUTYBZIARN-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.02
Rot. Bonds3

About 2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide

2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide (PubChem CID 70846240) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
PubChem CID70846240
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccccc2C)ncn1
InChIInChI=1S/C14H15N3O/c1-10-5-3-4-6-13(10)14(18)15-8-12-7-11(2)16-9-17-12/h3-7,9H,8H2,1-2H3,(H,15,18)
InChIKeyCNQSPUTYBZIARN-UHFFFAOYSA-N
XLogP2.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263387
N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122263272
2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263270
2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263261
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041318
2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263254
N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263436
N-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide
CID 122263471
2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263317
4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122263537
N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide
CID 4865656
N-[(6-methylpyrimidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122263384

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide (CID 70846240) is 2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide is Cc1cc(CNC(=O)c2ccccc2C)ncn1.
What is the InChIKey of 2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is CNQSPUTYBZIARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-5-3-4-6-13(10)14(18)15-8-12-7-11(2)16-9-17-12/h3-7,9H,8H2,1-2H3,(H,15,18).
What are the key properties of 2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide?
2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 241.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 70846240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).