methyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate

C14H13FN2O4 — CID 67854225

IUPACmethyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate
SMILESCOC(=O)c1c(F)cccc1-c1nc(OC)cc(OC)n1
InChIInChI=1S/C14H13FN2O4/c1-19-10-7-11(20-2)17-13(16-10)8-5-4-6-9(15)12(8)14(18)21-3/h4-7H,1-3H3
InChIKeyLPZSWOYGPVHZQS-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.09
Rot. Bonds4

About methyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate

methyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate (PubChem CID 67854225) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is methyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate
PubChem CID67854225
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Namemethyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate
SMILESCOC(=O)c1c(F)cccc1-c1nc(OC)cc(OC)n1
InChIInChI=1S/C14H13FN2O4/c1-19-10-7-11(20-2)17-13(16-10)8-5-4-6-9(15)12(8)14(18)21-3/h4-7H,1-3H3
InChIKeyLPZSWOYGPVHZQS-UHFFFAOYSA-N
XLogP2.09
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate
CID 119010018
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide
CID 107626160
methyl 2-fluoro-6-(2,3,4,5,6-pentachlorophenyl)benzoate
CID 134635064
2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 15389849
methyl 2-[4-(2-aminopropan-2-yl)phenyl]-6-fluorobenzoate
CID 22349880
methyl 2,6-difluorobenzoate;tricosane
CID 174987111
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458
methyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate
CID 134635154
N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide
CID 107689719
(2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 67350239
2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide
CID 70195005
N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 141254822

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate?
The IUPAC name of methyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate (CID 67854225) is methyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate.
What is the SMILES notation for methyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate?
The canonical SMILES for methyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate is COC(=O)c1c(F)cccc1-c1nc(OC)cc(OC)n1.
What is the InChIKey of methyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate?
The InChIKey is LPZSWOYGPVHZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-19-10-7-11(20-2)17-13(16-10)8-5-4-6-9(15)12(8)14(18)21-3/h4-7H,1-3H3.
What are the key properties of methyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate?
methyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate has a molecular weight of 292.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate is sourced from PubChem (CID 67854225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).