ethyl 4-(4-fluorophenyl)-2-methoxy-6-methylpyrimidine-5-carboxylate

C15H15FN2O3 — CID 154708109

IUPACethyl 4-(4-fluorophenyl)-2-methoxy-6-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(OC)nc1-c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O3/c1-4-21-14(19)12-9(2)17-15(20-3)18-13(12)10-5-7-11(16)8-6-10/h5-8H,4H2,1-3H3
InChIKeyHWYIZYUWORFEGX-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.78
Rot. Bonds4

About ethyl 4-(4-fluorophenyl)-2-methoxy-6-methylpyrimidine-5-carboxylate

ethyl 4-(4-fluorophenyl)-2-methoxy-6-methylpyrimidine-5-carboxylate (PubChem CID 154708109) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-2-methoxy-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-2-methoxy-6-methylpyrimidine-5-carboxylate
PubChem CID154708109
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Nameethyl 4-(4-fluorophenyl)-2-methoxy-6-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(OC)nc1-c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O3/c1-4-21-14(19)12-9(2)17-15(20-3)18-13(12)10-5-7-11(16)8-6-10/h5-8H,4H2,1-3H3
InChIKeyHWYIZYUWORFEGX-UHFFFAOYSA-N
XLogP2.78
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-2-methoxy-6-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-2-methoxy-6-methylpyrimidine-5-carboxylate (CID 154708109) is ethyl 4-(4-fluorophenyl)-2-methoxy-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-2-methoxy-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-2-methoxy-6-methylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(OC)nc1-c1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-2-methoxy-6-methylpyrimidine-5-carboxylate?
The InChIKey is HWYIZYUWORFEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-4-21-14(19)12-9(2)17-15(20-3)18-13(12)10-5-7-11(16)8-6-10/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-2-methoxy-6-methylpyrimidine-5-carboxylate?
ethyl 4-(4-fluorophenyl)-2-methoxy-6-methylpyrimidine-5-carboxylate has a molecular weight of 290.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-2-methoxy-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 154708109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).