ethyl 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylate

C15H15FN2O2 — CID 14513884

IUPACethyl 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(C)nc1-c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2/c1-4-20-15(19)13-9(2)17-10(3)18-14(13)11-5-7-12(16)8-6-11/h5-8H,4H2,1-3H3
InChIKeyILJPHPVLMYMDTN-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.08
Rot. Bonds3

About ethyl 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylate

ethyl 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylate (PubChem CID 14513884) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylate
PubChem CID14513884
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Nameethyl 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(C)nc1-c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2/c1-4-20-15(19)13-9(2)17-10(3)18-14(13)11-5-7-12(16)8-6-11/h5-8H,4H2,1-3H3
InChIKeyILJPHPVLMYMDTN-UHFFFAOYSA-N
XLogP3.08
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-amino-6-methyl-2-phenyl-5-pyrimidinecarboxylate
CID 611239
Ethyl 2-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 3522145
Ethyl 4-methyl-2-phenyl-6-(propanoylamino)pyrimidine-5-carboxylate
CID 830687
Ethyl 2,4-diphenyl-5-pyrimidinecarboxylate
CID 1487223
Methyl 4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinecarboxylate
CID 9929821
Ethyl 4-(isobutyrylamino)-6-methyl-2-phenyl-5-pyrimidinecarboxylate
CID 830688
Ethyl 2-amino-4-phenylpyrimidine-5-carboxylate
CID 254928
2-Methyl-4-phenylpyrimidine-5-carboxylic acid
CID 2776510
Methyl 4-(4-Fluorophenyl)-6-isopropyl-2-(methylthio)pyrimidine-5-carboxylate
CID 11652673
Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(methylamino)pyrimidine-5-carboxylate
CID 17989605
Ethyl 4-(4-fluorophenyl)-2-(methylsulfanyl)-6-(propan-2-yl)pyrimidine-5-carboxylate
CID 21713222
Ethyl 2-(methylthio)-4-phenylpyrimidine-5-carboxylate
CID 12690146

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylate (CID 14513884) is ethyl 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(C)nc1-c1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylate?
The InChIKey is ILJPHPVLMYMDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-4-20-15(19)13-9(2)17-10(3)18-14(13)11-5-7-12(16)8-6-11/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylate?
ethyl 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylate has a molecular weight of 274.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylate is sourced from PubChem (CID 14513884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).