methyl 5-benzoyloxy-2-(4-fluorophenyl)-6-methoxypyrimidine-4-carboxylate

C20H15FN2O5 — CID 71002388

IUPACmethyl 5-benzoyloxy-2-(4-fluorophenyl)-6-methoxypyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(F)cc2)nc(OC)c1OC(=O)c1ccccc1
InChIInChI=1S/C20H15FN2O5/c1-26-18-16(28-19(24)13-6-4-3-5-7-13)15(20(25)27-2)22-17(23-18)12-8-10-14(21)11-9-12/h3-11H,1-2H3
InChIKeyHUGPAEZJOXINRR-UHFFFAOYSA-N
MW382.35 g/mol
LogP3.30
Rot. Bonds5

About methyl 5-benzoyloxy-2-(4-fluorophenyl)-6-methoxypyrimidine-4-carboxylate

methyl 5-benzoyloxy-2-(4-fluorophenyl)-6-methoxypyrimidine-4-carboxylate (PubChem CID 71002388) has the molecular formula C20H15FN2O5 and a molecular weight of 382.35 g/mol. Its IUPAC name is methyl 5-benzoyloxy-2-(4-fluorophenyl)-6-methoxypyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-benzoyloxy-2-(4-fluorophenyl)-6-methoxypyrimidine-4-carboxylate
PubChem CID71002388
Molecular FormulaC20H15FN2O5
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Namemethyl 5-benzoyloxy-2-(4-fluorophenyl)-6-methoxypyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(F)cc2)nc(OC)c1OC(=O)c1ccccc1
InChIInChI=1S/C20H15FN2O5/c1-26-18-16(28-19(24)13-6-4-3-5-7-13)15(20(25)27-2)22-17(23-18)12-8-10-14(21)11-9-12/h3-11H,1-2H3
InChIKeyHUGPAEZJOXINRR-UHFFFAOYSA-N
XLogP3.30
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-benzoyloxy-2-(4-fluorophenyl)-6-methoxypyrimidine-4-carboxylate?
The IUPAC name of methyl 5-benzoyloxy-2-(4-fluorophenyl)-6-methoxypyrimidine-4-carboxylate (CID 71002388) is methyl 5-benzoyloxy-2-(4-fluorophenyl)-6-methoxypyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-benzoyloxy-2-(4-fluorophenyl)-6-methoxypyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-benzoyloxy-2-(4-fluorophenyl)-6-methoxypyrimidine-4-carboxylate is COC(=O)c1nc(-c2ccc(F)cc2)nc(OC)c1OC(=O)c1ccccc1.
What is the InChIKey of methyl 5-benzoyloxy-2-(4-fluorophenyl)-6-methoxypyrimidine-4-carboxylate?
The InChIKey is HUGPAEZJOXINRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O5/c1-26-18-16(28-19(24)13-6-4-3-5-7-13)15(20(25)27-2)22-17(23-18)12-8-10-14(21)11-9-12/h3-11H,1-2H3.
What are the key properties of methyl 5-benzoyloxy-2-(4-fluorophenyl)-6-methoxypyrimidine-4-carboxylate?
methyl 5-benzoyloxy-2-(4-fluorophenyl)-6-methoxypyrimidine-4-carboxylate has a molecular weight of 382.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-benzoyloxy-2-(4-fluorophenyl)-6-methoxypyrimidine-4-carboxylate is sourced from PubChem (CID 71002388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).