4-ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid

C14H13FN2O2 — CID 69279305

IUPAC4-ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCCc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)O
InChIInChI=1S/C14H13FN2O2/c1-3-11-12(14(18)19)8(2)16-13(17-11)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyHXRGWUSGDGCIFM-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.85
Rot. Bonds3

About 4-ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid

4-ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid (PubChem CID 69279305) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 4-ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
PubChem CID69279305
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name4-ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCCc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)O
InChIInChI=1S/C14H13FN2O2/c1-3-11-12(14(18)19)8(2)16-13(17-11)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyHXRGWUSGDGCIFM-UHFFFAOYSA-N
XLogP2.85
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid (CID 69279305) is 4-ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid is CCc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)O.
What is the InChIKey of 4-ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is HXRGWUSGDGCIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-3-11-12(14(18)19)8(2)16-13(17-11)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
4-ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 69279305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).