N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide

C13H11F2N3O — CID 3309967

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide
SMILESCc1cc(C)nc(NC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C13H11F2N3O/c1-7-6-8(2)17-13(16-7)18-12(19)11-9(14)4-3-5-10(11)15/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyPRPQBDPILHXFSX-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.62
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide

N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide (PubChem CID 3309967) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide
PubChem CID3309967
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide
SMILESCc1cc(C)nc(NC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C13H11F2N3O/c1-7-6-8(2)17-13(16-7)18-12(19)11-9(14)4-3-5-10(11)15/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyPRPQBDPILHXFSX-UHFFFAOYSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide
CID 114053411
N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide
CID 107688990
3-(2-chloro-6-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 5223953
N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide
CID 62649344
N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-fluoro-6-nitrobenzamide
CID 134099946
N-(4,6-dimethylpyrimidin-2-yl)naphthalene-1-carboxamide
CID 966576
N-(2,6-difluorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796553
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide
CID 107626160
N-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide
CID 63971187
2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide
CID 81394291
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670750

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide (CID 3309967) is N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide is Cc1cc(C)nc(NC(=O)c2c(F)cccc2F)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide?
The InChIKey is PRPQBDPILHXFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c1-7-6-8(2)17-13(16-7)18-12(19)11-9(14)4-3-5-10(11)15/h3-6H,1-2H3,(H,16,17,18,19).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide?
N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide has a molecular weight of 263.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 3309967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).