4-(2-aminopyrimidin-5-yl)oxybenzoic acid

C11H9N3O3 — CID 115038087

IUPAC4-(2-aminopyrimidin-5-yl)oxybenzoic acid
SMILESNc1ncc(Oc2ccc(C(=O)O)cc2)cn1
InChIInChI=1S/C11H9N3O3/c12-11-13-5-9(6-14-11)17-8-3-1-7(2-4-8)10(15)16/h1-6H,(H,15,16)(H2,12,13,14)
InChIKeyPRNOCXIRNPYQAK-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.55
Rot. Bonds3

About 4-(2-aminopyrimidin-5-yl)oxybenzoic acid

4-(2-aminopyrimidin-5-yl)oxybenzoic acid (PubChem CID 115038087) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)oxybenzoic acid.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)oxybenzoic acid
PubChem CID115038087
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name4-(2-aminopyrimidin-5-yl)oxybenzoic acid
SMILESNc1ncc(Oc2ccc(C(=O)O)cc2)cn1
InChIInChI=1S/C11H9N3O3/c12-11-13-5-9(6-14-11)17-8-3-1-7(2-4-8)10(15)16/h1-6H,(H,15,16)(H2,12,13,14)
InChIKeyPRNOCXIRNPYQAK-UHFFFAOYSA-N
XLogP1.55
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid
CID 115038673
2-aminopyrimidine-5-carboxylic acid
CID 7020367
benzene-1,3-diamine;4-(4-carboxyphenoxy)benzoic acid
CID 67851830
4-phenoxybenzoic acid;hydrochloride
CID 70385625
4-pyridin-3-yloxybenzoic acid
CID 22261667
4-(4-acetylphenoxy)benzoic acid
CID 60723234
4-[4-amino-3-(4-carboxyphenoxy)phenoxy]benzoic acid
CID 122388831
4-[4-[4-(4-carboxyphenoxy)phenyl]sulfanylphenoxy]benzoic acid
CID 14177975
5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid
CID 117231567
3-amino-4-(4-carboxyphenoxy)benzoic acid
CID 54426236
5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid
CID 115055193

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)oxybenzoic acid?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)oxybenzoic acid (CID 115038087) is 4-(2-aminopyrimidin-5-yl)oxybenzoic acid.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)oxybenzoic acid?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)oxybenzoic acid is Nc1ncc(Oc2ccc(C(=O)O)cc2)cn1.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)oxybenzoic acid?
The InChIKey is PRNOCXIRNPYQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c12-11-13-5-9(6-14-11)17-8-3-1-7(2-4-8)10(15)16/h1-6H,(H,15,16)(H2,12,13,14).
What are the key properties of 4-(2-aminopyrimidin-5-yl)oxybenzoic acid?
4-(2-aminopyrimidin-5-yl)oxybenzoic acid has a molecular weight of 231.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-5-yl)oxybenzoic acid is sourced from PubChem (CID 115038087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).