methyl 4-fluoro-5-methoxy-6-methylpyrimidine-2-carboxylate

C8H9FN2O3 — CID 164660022

IUPACmethyl 4-fluoro-5-methoxy-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)c(OC)c(F)n1
InChIInChI=1S/C8H9FN2O3/c1-4-5(13-2)6(9)11-7(10-4)8(12)14-3/h1-3H3
InChIKeyHGWJOHVVIOPHMG-UHFFFAOYSA-N
MW200.17 g/mol
LogP0.72
Rot. Bonds2

About methyl 4-fluoro-5-methoxy-6-methylpyrimidine-2-carboxylate

methyl 4-fluoro-5-methoxy-6-methylpyrimidine-2-carboxylate (PubChem CID 164660022) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is methyl 4-fluoro-5-methoxy-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoro-5-methoxy-6-methylpyrimidine-2-carboxylate
PubChem CID164660022
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Namemethyl 4-fluoro-5-methoxy-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)c(OC)c(F)n1
InChIInChI=1S/C8H9FN2O3/c1-4-5(13-2)6(9)11-7(10-4)8(12)14-3/h1-3H3
InChIKeyHGWJOHVVIOPHMG-UHFFFAOYSA-N
XLogP0.72
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-5-methoxy-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-fluoro-5-methoxy-6-methylpyrimidine-2-carboxylate (CID 164660022) is methyl 4-fluoro-5-methoxy-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-fluoro-5-methoxy-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-fluoro-5-methoxy-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)c(OC)c(F)n1.
What is the InChIKey of methyl 4-fluoro-5-methoxy-6-methylpyrimidine-2-carboxylate?
The InChIKey is HGWJOHVVIOPHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-4-5(13-2)6(9)11-7(10-4)8(12)14-3/h1-3H3.
What are the key properties of methyl 4-fluoro-5-methoxy-6-methylpyrimidine-2-carboxylate?
methyl 4-fluoro-5-methoxy-6-methylpyrimidine-2-carboxylate has a molecular weight of 200.17 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-5-methoxy-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 164660022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).