6-anilino-2-ethylpyrimidine-4-carboxylic acid

C13H13N3O2 — CID 82293665

IUPAC6-anilino-2-ethylpyrimidine-4-carboxylic acid
SMILESCCc1nc(Nc2ccccc2)cc(C(=O)O)n1
InChIInChI=1S/C13H13N3O2/c1-2-11-15-10(13(17)18)8-12(16-11)14-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyOYETYEVCOMDMTK-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.48
Rot. Bonds4

About 6-anilino-2-ethylpyrimidine-4-carboxylic acid

6-anilino-2-ethylpyrimidine-4-carboxylic acid (PubChem CID 82293665) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-anilino-2-ethylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-anilino-2-ethylpyrimidine-4-carboxylic acid
PubChem CID82293665
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name6-anilino-2-ethylpyrimidine-4-carboxylic acid
SMILESCCc1nc(Nc2ccccc2)cc(C(=O)O)n1
InChIInChI=1S/C13H13N3O2/c1-2-11-15-10(13(17)18)8-12(16-11)14-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyOYETYEVCOMDMTK-UHFFFAOYSA-N
XLogP2.48
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid
CID 82169792
2,6-diethylpyrimidine-4-carboxylic acid
CID 83816909
2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid
CID 82293663
2-methyl-6-(3-methylanilino)pyrimidine-4-carboxylic acid
CID 82293662
2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169776
ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate
CID 109373077
2-(phenylsulfanylmethyl)-6-(propylamino)pyrimidine-4-carboxylic acid
CID 82169953
6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
2-(4-ethylanilino)quinoline-4-carboxylic acid
CID 4166547
2-(benzenesulfonylmethyl)-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169741
6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid
CID 13227966
6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid
CID 82306131

Frequently Asked Questions

What is the IUPAC name of 6-anilino-2-ethylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-anilino-2-ethylpyrimidine-4-carboxylic acid (CID 82293665) is 6-anilino-2-ethylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-anilino-2-ethylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-anilino-2-ethylpyrimidine-4-carboxylic acid is CCc1nc(Nc2ccccc2)cc(C(=O)O)n1.
What is the InChIKey of 6-anilino-2-ethylpyrimidine-4-carboxylic acid?
The InChIKey is OYETYEVCOMDMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-2-11-15-10(13(17)18)8-12(16-11)14-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 6-anilino-2-ethylpyrimidine-4-carboxylic acid?
6-anilino-2-ethylpyrimidine-4-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-2-ethylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 82293665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).