ethyl 4-(4-fluorophenoxy)pyrimidine-5-carboxylate

C13H11FN2O3 — CID 20728202

IUPACethyl 4-(4-fluorophenoxy)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cncnc1Oc1ccc(F)cc1
InChIInChI=1S/C13H11FN2O3/c1-2-18-13(17)11-7-15-8-16-12(11)19-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3
InChIKeyNXXQPKJMTZEQRP-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.58
Rot. Bonds4

About ethyl 4-(4-fluorophenoxy)pyrimidine-5-carboxylate

ethyl 4-(4-fluorophenoxy)pyrimidine-5-carboxylate (PubChem CID 20728202) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenoxy)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenoxy)pyrimidine-5-carboxylate
PubChem CID20728202
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Nameethyl 4-(4-fluorophenoxy)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cncnc1Oc1ccc(F)cc1
InChIInChI=1S/C13H11FN2O3/c1-2-18-13(17)11-7-15-8-16-12(11)19-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3
InChIKeyNXXQPKJMTZEQRP-UHFFFAOYSA-N
XLogP2.58
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate
CID 2745540
4-Phenoxy-2-phenylpyrimidine-5-carboxylic acid
CID 1474633
Ethyl 4-phenoxy-2-phenyl-5-pyrimidinecarboxylate
CID 1474625
Ethyl 4-(4-chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylate
CID 1474626
Ethyl 4-(4-methoxyphenoxy)-2-phenyl-5-pyrimidinecarboxylate
CID 1474631
Ethyl 4-(4-methylphenoxy)-2-phenyl-5-pyrimidinecarboxylate
CID 1474628
Ethyl 4-(3-chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylate
CID 1474632
4-(4-Methoxyphenoxy)-2-phenylpyrimidine-5-carboxylic acid
CID 1489965
ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(2-fluorophenoxy)pyrimidine-5-carboxylate
CID 1949861
2-Chloro-5-methyl-4-phenoxypyrimidine
CID 59868882
2-(2-Ethoxyphenyl)-4-methoxypyrimidine-5-carboxylic acid
CID 12535886
Ethyl 4-phenoxy-6-(propan-2-ylamino)pyrimidine-5-carboxylate
CID 44429355

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenoxy)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenoxy)pyrimidine-5-carboxylate (CID 20728202) is ethyl 4-(4-fluorophenoxy)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenoxy)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenoxy)pyrimidine-5-carboxylate is CCOC(=O)c1cncnc1Oc1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenoxy)pyrimidine-5-carboxylate?
The InChIKey is NXXQPKJMTZEQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-2-18-13(17)11-7-15-8-16-12(11)19-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3.
What are the key properties of ethyl 4-(4-fluorophenoxy)pyrimidine-5-carboxylate?
ethyl 4-(4-fluorophenoxy)pyrimidine-5-carboxylate has a molecular weight of 262.24 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenoxy)pyrimidine-5-carboxylate is sourced from PubChem (CID 20728202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).