4-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzoic acid

C15H11N5O2 — CID 68850820

IUPAC4-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nccc(-c3cnccn3)n2)cc1
InChIInChI=1S/C15H11N5O2/c21-14(22)10-1-3-11(4-2-10)19-15-18-6-5-12(20-15)13-9-16-7-8-17-13/h1-9H,(H,21,22)(H,18,19,20)
InChIKeyATCNMMOYZZRUGM-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.38
Rot. Bonds4

About 4-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzoic acid

4-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzoic acid (PubChem CID 68850820) has the molecular formula C15H11N5O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 4-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzoic acid
PubChem CID68850820
Molecular FormulaC15H11N5O2
Molecular Weight293.29 g/mol
Exact Mass293.09
IUPAC Name4-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nccc(-c3cnccn3)n2)cc1
InChIInChI=1S/C15H11N5O2/c21-14(22)10-1-3-11(4-2-10)19-15-18-6-5-12(20-15)13-9-16-7-8-17-13/h1-9H,(H,21,22)(H,18,19,20)
InChIKeyATCNMMOYZZRUGM-UHFFFAOYSA-N
XLogP2.38
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-methoxypyrimidin-2-yl)amino]benzoic acid
CID 43378936
4-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]benzoic acid
CID 10291841
4-(1,3,5-triazin-2-ylamino)benzoic acid
CID 54070547
4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 69235477
4-[2-(4-morpholin-3-ylanilino)pyrimidin-4-yl]benzoic acid
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2-[2-[2-(pyridin-3-ylamino)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70770241
4-[[2-(4-carboxyanilino)-5-fluoropyrimidin-4-yl]amino]benzoic acid
CID 22060467
4-[[4-(4-methylimidazol-1-yl)pyrimidin-2-yl]amino]benzoic acid
CID 68851073
4-(pyridin-3-ylamino)benzoic acid
CID 62231528
4-methyl-3-[[4-(5-methylpyrazin-2-yl)pyrimidin-2-yl]amino]benzoic acid
CID 69020290
N-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-amine
CID 154841275
2-methyl-6-pyrazin-2-ylpyridine-4-carboxylic acid
CID 138718150

Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzoic acid?
The IUPAC name of 4-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzoic acid (CID 68850820) is 4-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzoic acid?
The canonical SMILES for 4-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzoic acid is O=C(O)c1ccc(Nc2nccc(-c3cnccn3)n2)cc1.
What is the InChIKey of 4-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzoic acid?
The InChIKey is ATCNMMOYZZRUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2/c21-14(22)10-1-3-11(4-2-10)19-15-18-6-5-12(20-15)13-9-16-7-8-17-13/h1-9H,(H,21,22)(H,18,19,20).
What are the key properties of 4-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzoic acid?
4-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzoic acid has a molecular weight of 293.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzoic acid is sourced from PubChem (CID 68850820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).