N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide

C15H16F2N4O — CID 91968502

IUPACN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide
SMILESCc1nc(N(C)C)nc(C)c1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C15H16F2N4O/c1-8-13(9(2)19-15(18-8)21(3)4)20-14(22)12-10(16)6-5-7-11(12)17/h5-7H,1-4H3,(H,20,22)
InChIKeyOYOLEWQWTOCNLL-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.69
Rot. Bonds3

About N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide

N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide (PubChem CID 91968502) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide
PubChem CID91968502
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide
SMILESCc1nc(N(C)C)nc(C)c1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C15H16F2N4O/c1-8-13(9(2)19-15(18-8)21(3)4)20-14(22)12-10(16)6-5-7-11(12)17/h5-7H,1-4H3,(H,20,22)
InChIKeyOYOLEWQWTOCNLL-UHFFFAOYSA-N
XLogP2.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-(2-fluorophenyl)acetamide
CID 122356290
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide
CID 71807245
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide
CID 122356325
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide
CID 122356252
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
CID 43546935
2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide
CID 122356294
N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide
CID 3309967
2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide
CID 122356295
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122356267
N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide
CID 4116047
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
CID 2197858

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide (CID 91968502) is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide is Cc1nc(N(C)C)nc(C)c1NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide?
The InChIKey is OYOLEWQWTOCNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c1-8-13(9(2)19-15(18-8)21(3)4)20-14(22)12-10(16)6-5-7-11(12)17/h5-7H,1-4H3,(H,20,22).
What are the key properties of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide?
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide has a molecular weight of 306.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 91968502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).