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

C13H12ClN3O — CID 13114245

IUPACN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide
SMILESCc1cc(Cl)nc(CNC(=O)c2ccccc2)n1
InChIInChI=1S/C13H12ClN3O/c1-9-7-11(14)17-12(16-9)8-15-13(18)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,18)
InChIKeyVXYUVSFZPQPRHW-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.37
Rot. Bonds3

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

N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide (PubChem CID 13114245) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide
PubChem CID13114245
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide
SMILESCc1cc(Cl)nc(CNC(=O)c2ccccc2)n1
InChIInChI=1S/C13H12ClN3O/c1-9-7-11(14)17-12(16-9)8-15-13(18)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,18)
InChIKeyVXYUVSFZPQPRHW-UHFFFAOYSA-N
XLogP2.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378285
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 113378416
N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 741406
N-[1-(4-chloro-6-methylpyrimidin-2-yl)-2-phenylethyl]benzamide
CID 13114247
N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793
N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide
CID 53148143
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688
benzoic acid;4-chloro-6-methylpyrimidin-2-amine
CID 139144561
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 1474210

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide?
The IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide (CID 13114245) is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide?
The canonical SMILES for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide is Cc1cc(Cl)nc(CNC(=O)c2ccccc2)n1.
What is the InChIKey of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide?
The InChIKey is VXYUVSFZPQPRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-9-7-11(14)17-12(16-9)8-15-13(18)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,18).
What are the key properties of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide?
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide has a molecular weight of 261.71 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 13114245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).