6-(4-hydroxyanilino)pyrimidine-4-carboxylic acid

C11H9N3O3 — CID 68554703

IUPAC6-(4-hydroxyanilino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Nc2ccc(O)cc2)ncn1
InChIInChI=1S/C11H9N3O3/c15-8-3-1-7(2-4-8)14-10-5-9(11(16)17)12-6-13-10/h1-6,15H,(H,16,17)(H,12,13,14)
InChIKeyIJEKZJXHOQWSNC-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.62
Rot. Bonds3

About 6-(4-hydroxyanilino)pyrimidine-4-carboxylic acid

6-(4-hydroxyanilino)pyrimidine-4-carboxylic acid (PubChem CID 68554703) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 6-(4-hydroxyanilino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-hydroxyanilino)pyrimidine-4-carboxylic acid
PubChem CID68554703
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name6-(4-hydroxyanilino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Nc2ccc(O)cc2)ncn1
InChIInChI=1S/C11H9N3O3/c15-8-3-1-7(2-4-8)14-10-5-9(11(16)17)12-6-13-10/h1-6,15H,(H,16,17)(H,12,13,14)
InChIKeyIJEKZJXHOQWSNC-UHFFFAOYSA-N
XLogP1.62
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

6-(4-tert-butylanilino)pyrimidine-4-carboxylic acid
CID 82306129
4-[(6-chloropyrimidin-4-yl)amino]phenol
CID 18009128
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
CID 109355732
4-[[6-(methylamino)pyrimidin-4-yl]amino]benzoic acid
CID 69162548
6-[[6-(methylideneamino)pyrimidin-4-yl]amino]pyrimidine-4-carboxylic acid
CID 163786189
4-[[6-(4-bromoanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113192964
6-(4-acetamidoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356977
6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356962
N-[4-[[6-(4-acetylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 109346095
6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 167762854
1-[4-[[6-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866665

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyanilino)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(4-hydroxyanilino)pyrimidine-4-carboxylic acid (CID 68554703) is 6-(4-hydroxyanilino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(4-hydroxyanilino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(4-hydroxyanilino)pyrimidine-4-carboxylic acid is O=C(O)c1cc(Nc2ccc(O)cc2)ncn1.
What is the InChIKey of 6-(4-hydroxyanilino)pyrimidine-4-carboxylic acid?
The InChIKey is IJEKZJXHOQWSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-8-3-1-7(2-4-8)14-10-5-9(11(16)17)12-6-13-10/h1-6,15H,(H,16,17)(H,12,13,14).
What are the key properties of 6-(4-hydroxyanilino)pyrimidine-4-carboxylic acid?
6-(4-hydroxyanilino)pyrimidine-4-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyanilino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 68554703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).