ethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate

C8H9FN2O3 — CID 126751913

IUPACethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate
SMILESCCOC(=O)c1ncnc(OC)c1F
InChIInChI=1S/C8H9FN2O3/c1-3-14-8(12)6-5(9)7(13-2)11-4-10-6/h4H,3H2,1-2H3
InChIKeyRCUJXXGXEXZORM-UHFFFAOYSA-N
MW200.17 g/mol
LogP0.80
Rot. Bonds3

About ethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate

ethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate (PubChem CID 126751913) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is ethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate
PubChem CID126751913
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Nameethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate
SMILESCCOC(=O)c1ncnc(OC)c1F
InChIInChI=1S/C8H9FN2O3/c1-3-14-8(12)6-5(9)7(13-2)11-4-10-6/h4H,3H2,1-2H3
InChIKeyRCUJXXGXEXZORM-UHFFFAOYSA-N
XLogP0.80
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 2,6-diamino-4-(4,6-dimethoxypyrimidin-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 70631685
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carboxylate
CID 133105445
diethyl pyrimidine-4,5-dicarboxylate
CID 13000769
ethyl 3-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134678035
ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134675966
ethyl 5-fluoro-1H-imidazole-4-carboxylate
CID 158522577
ethyl 3-bromopyrazine-2-carboxylate
CID 91884522
ethyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311482
ethyl 2-amino-5-fluoropyrimidine-4-carboxylate
CID 130019307
ethyl 5-amino-3-fluoropyridine-2-carboxylate
CID 119005075
ethyl 5-(bromomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 133103884

Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate?
The IUPAC name of ethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate (CID 126751913) is ethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate?
The canonical SMILES for ethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate is CCOC(=O)c1ncnc(OC)c1F.
What is the InChIKey of ethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate?
The InChIKey is RCUJXXGXEXZORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-3-14-8(12)6-5(9)7(13-2)11-4-10-6/h4H,3H2,1-2H3.
What are the key properties of ethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate?
ethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate has a molecular weight of 200.17 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate is sourced from PubChem (CID 126751913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).