6-anilinopyrimidine-4-carboxylic acid

C11H9N3O2 — CID 68556738

IUPAC6-anilinopyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C11H9N3O2/c15-11(16)9-6-10(13-7-12-9)14-8-4-2-1-3-5-8/h1-7H,(H,15,16)(H,12,13,14)
InChIKeyIJVBWDVXGTVHQJ-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.92
Rot. Bonds3

About 6-anilinopyrimidine-4-carboxylic acid

6-anilinopyrimidine-4-carboxylic acid (PubChem CID 68556738) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 6-anilinopyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-anilinopyrimidine-4-carboxylic acid
PubChem CID68556738
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name6-anilinopyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C11H9N3O2/c15-11(16)9-6-10(13-7-12-9)14-8-4-2-1-3-5-8/h1-7H,(H,15,16)(H,12,13,14)
InChIKeyIJVBWDVXGTVHQJ-UHFFFAOYSA-N
XLogP1.92
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-anilinopyrimidine-4-carboxylic acid?
The IUPAC name of 6-anilinopyrimidine-4-carboxylic acid (CID 68556738) is 6-anilinopyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-anilinopyrimidine-4-carboxylic acid?
The canonical SMILES for 6-anilinopyrimidine-4-carboxylic acid is O=C(O)c1cc(Nc2ccccc2)ncn1.
What is the InChIKey of 6-anilinopyrimidine-4-carboxylic acid?
The InChIKey is IJVBWDVXGTVHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-11(16)9-6-10(13-7-12-9)14-8-4-2-1-3-5-8/h1-7H,(H,15,16)(H,12,13,14).
What are the key properties of 6-anilinopyrimidine-4-carboxylic acid?
6-anilinopyrimidine-4-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilinopyrimidine-4-carboxylic acid is sourced from PubChem (CID 68556738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).