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

C13H12FN3O3 — CID 742738

IUPACN-(2,6-dimethoxypyrimidin-4-yl)-4-fluorobenzamide
SMILESCOc1cc(NC(=O)c2ccc(F)cc2)nc(OC)n1
InChIInChI=1S/C13H12FN3O3/c1-19-11-7-10(16-13(17-11)20-2)15-12(18)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyXOWQVDWOVSFBCY-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.89
Rot. Bonds4

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

N-(2,6-dimethoxypyrimidin-4-yl)-4-fluorobenzamide (PubChem CID 742738) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is N-(2,6-dimethoxypyrimidin-4-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2,6-dimethoxypyrimidin-4-yl)-4-fluorobenzamide
PubChem CID742738
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC NameN-(2,6-dimethoxypyrimidin-4-yl)-4-fluorobenzamide
SMILESCOc1cc(NC(=O)c2ccc(F)cc2)nc(OC)n1
InChIInChI=1S/C13H12FN3O3/c1-19-11-7-10(16-13(17-11)20-2)15-12(18)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyXOWQVDWOVSFBCY-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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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-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide
CID 685677
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-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide
CID 2801454

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-4-fluorobenzamide?
The IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-4-fluorobenzamide (CID 742738) is N-(2,6-dimethoxypyrimidin-4-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(2,6-dimethoxypyrimidin-4-yl)-4-fluorobenzamide?
The canonical SMILES for N-(2,6-dimethoxypyrimidin-4-yl)-4-fluorobenzamide is COc1cc(NC(=O)c2ccc(F)cc2)nc(OC)n1.
What is the InChIKey of N-(2,6-dimethoxypyrimidin-4-yl)-4-fluorobenzamide?
The InChIKey is XOWQVDWOVSFBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-19-11-7-10(16-13(17-11)20-2)15-12(18)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H,15,16,17,18).
What are the key properties of N-(2,6-dimethoxypyrimidin-4-yl)-4-fluorobenzamide?
N-(2,6-dimethoxypyrimidin-4-yl)-4-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)-4-fluorobenzamide is sourced from PubChem (CID 742738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).