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

C15H17N3O3 — CID 122263254

IUPAC2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1cc(C)ncn1
InChIInChI=1S/C15H17N3O3/c1-10-7-11(18-9-17-10)8-16-15(19)14-12(20-2)5-4-6-13(14)21-3/h4-7,9H,8H2,1-3H3,(H,16,19)
InChIKeyZKVGXNLATMBCRY-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.73
Rot. Bonds5

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

2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide (PubChem CID 122263254) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
PubChem CID122263254
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1cc(C)ncn1
InChIInChI=1S/C15H17N3O3/c1-10-7-11(18-9-17-10)8-16-15(19)14-12(20-2)5-4-6-13(14)21-3/h4-7,9H,8H2,1-3H3,(H,16,19)
InChIKeyZKVGXNLATMBCRY-UHFFFAOYSA-N
XLogP1.73
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 70846240
2,6-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzamide
CID 110718905
2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263317
N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263436
N-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide
CID 122263471
2-(2-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263387
2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263261
3-(3-methoxyphenyl)-1-methyl-N-[(6-methylpyrimidin-4-yl)methyl]pyrazole-5-carboxamide
CID 122263527
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
CID 110779766
N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122263272
4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122263537

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide (CID 122263254) is 2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide is COc1cccc(OC)c1C(=O)NCc1cc(C)ncn1.
What is the InChIKey of 2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is ZKVGXNLATMBCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-7-11(18-9-17-10)8-16-15(19)14-12(20-2)5-4-6-13(14)21-3/h4-7,9H,8H2,1-3H3,(H,16,19).
What are the key properties of 2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide?
2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 287.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 122263254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).