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

C13H12FN3O3 — CID 702300

IUPACN-(2,6-dimethoxypyrimidin-4-yl)-2-fluorobenzamide
SMILESCOc1cc(NC(=O)c2ccccc2F)nc(OC)n1
InChIInChI=1S/C13H12FN3O3/c1-19-11-7-10(16-13(17-11)20-2)15-12(18)8-5-3-4-6-9(8)14/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyWGRZPOQMCNRLCG-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.89
Rot. Bonds4

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

N-(2,6-dimethoxypyrimidin-4-yl)-2-fluorobenzamide (PubChem CID 702300) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is N-(2,6-dimethoxypyrimidin-4-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2,6-dimethoxypyrimidin-4-yl)-2-fluorobenzamide
PubChem CID702300
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC NameN-(2,6-dimethoxypyrimidin-4-yl)-2-fluorobenzamide
SMILESCOc1cc(NC(=O)c2ccccc2F)nc(OC)n1
InChIInChI=1S/C13H12FN3O3/c1-19-11-7-10(16-13(17-11)20-2)15-12(18)8-5-3-4-6-9(8)14/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyWGRZPOQMCNRLCG-UHFFFAOYSA-N
XLogP1.89
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-2-fluorobenzamide?
The IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-2-fluorobenzamide (CID 702300) is N-(2,6-dimethoxypyrimidin-4-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(2,6-dimethoxypyrimidin-4-yl)-2-fluorobenzamide?
The canonical SMILES for N-(2,6-dimethoxypyrimidin-4-yl)-2-fluorobenzamide is COc1cc(NC(=O)c2ccccc2F)nc(OC)n1.
What is the InChIKey of N-(2,6-dimethoxypyrimidin-4-yl)-2-fluorobenzamide?
The InChIKey is WGRZPOQMCNRLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-19-11-7-10(16-13(17-11)20-2)15-12(18)8-5-3-4-6-9(8)14/h3-7H,1-2H3,(H,15,16,17,18).
What are the key properties of N-(2,6-dimethoxypyrimidin-4-yl)-2-fluorobenzamide?
N-(2,6-dimethoxypyrimidin-4-yl)-2-fluorobenzamide has a molecular weight of 277.26 g/mol, XLogP of 1.89, 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-fluorobenzamide is sourced from PubChem (CID 702300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).