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

C13H11F2N3O3 — CID 685677

IUPACN-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide
SMILESCOc1cc(NC(=O)c2c(F)cccc2F)nc(OC)n1
InChIInChI=1S/C13H11F2N3O3/c1-20-10-6-9(17-13(18-10)21-2)16-12(19)11-7(14)4-3-5-8(11)15/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyBVZJJQLUSQOTJI-UHFFFAOYSA-N
MW295.25 g/mol
LogP2.02
Rot. Bonds4

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

N-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide (PubChem CID 685677) has the molecular formula C13H11F2N3O3 and a molecular weight of 295.25 g/mol. Its IUPAC name is N-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide
PubChem CID685677
Molecular FormulaC13H11F2N3O3
Molecular Weight295.25 g/mol
Exact Mass295.08
IUPAC NameN-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide
SMILESCOc1cc(NC(=O)c2c(F)cccc2F)nc(OC)n1
InChIInChI=1S/C13H11F2N3O3/c1-20-10-6-9(17-13(18-10)21-2)16-12(19)11-7(14)4-3-5-8(11)15/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyBVZJJQLUSQOTJI-UHFFFAOYSA-N
XLogP2.02
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 698520
N-(2,6-dimethoxypyrimidin-4-yl)-4-methoxybenzamide
CID 730507
N-(2,6-dimethoxy-4-pyrimidinyl)-3-phenylpropanamide
CID 749283
4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 698519
N-{[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonothioyl}benzamide
CID 1122207
N-(2,6-dimethoxy-4-pyrimidinyl)-2-phenylacetamide
CID 749282
N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)benzamide
CID 1272740
4-chloro-N-[(4-chloro-6-methoxy-pyrimidin-2-yl)carbamothioyl]-2-fluoro-benzamide
CID 16078345
N-(2,6-Dimethoxy-4-pyrimidinyl)benzamide
CID 3867896
N-(2,6-dimethoxypyrimidin-4-yl)-2-fluorobenzamide
CID 702300
N-(2,6-dimethoxy-4-pyrimidinyl)-4-fluorobenzamide
CID 742738
N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluoro-benzamide
CID 15956667

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide (CID 685677) is N-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide is COc1cc(NC(=O)c2c(F)cccc2F)nc(OC)n1.
What is the InChIKey of N-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide?
The InChIKey is BVZJJQLUSQOTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O3/c1-20-10-6-9(17-13(18-10)21-2)16-12(19)11-7(14)4-3-5-8(11)15/h3-6H,1-2H3,(H,16,17,18,19).
What are the key properties of N-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide?
N-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide has a molecular weight of 295.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 685677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).