2-[4-[(2-aminopyrimidin-5-yl)amino]phenyl]acetic acid

C12H12N4O2 — CID 115055324

IUPAC2-[4-[(2-aminopyrimidin-5-yl)amino]phenyl]acetic acid
SMILESNc1ncc(Nc2ccc(CC(=O)O)cc2)cn1
InChIInChI=1S/C12H12N4O2/c13-12-14-6-10(7-15-12)16-9-3-1-8(2-4-9)5-11(17)18/h1-4,6-7,16H,5H2,(H,17,18)(H2,13,14,15)
InChIKeyIZRYRFFFOHYONY-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.43
Rot. Bonds4

About 2-[4-[(2-aminopyrimidin-5-yl)amino]phenyl]acetic acid

2-[4-[(2-aminopyrimidin-5-yl)amino]phenyl]acetic acid (PubChem CID 115055324) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[4-[(2-aminopyrimidin-5-yl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-aminopyrimidin-5-yl)amino]phenyl]acetic acid
PubChem CID115055324
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-[4-[(2-aminopyrimidin-5-yl)amino]phenyl]acetic acid
SMILESNc1ncc(Nc2ccc(CC(=O)O)cc2)cn1
InChIInChI=1S/C12H12N4O2/c13-12-14-6-10(7-15-12)16-9-3-1-8(2-4-9)5-11(17)18/h1-4,6-7,16H,5H2,(H,17,18)(H2,13,14,15)
InChIKeyIZRYRFFFOHYONY-UHFFFAOYSA-N
XLogP1.43
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2-aminopyrimidin-5-yl)amino]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-aminopyrimidin-5-yl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-aminopyrimidin-5-yl)amino]phenyl]acetic acid (CID 115055324) is 2-[4-[(2-aminopyrimidin-5-yl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-aminopyrimidin-5-yl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-aminopyrimidin-5-yl)amino]phenyl]acetic acid is Nc1ncc(Nc2ccc(CC(=O)O)cc2)cn1.
What is the InChIKey of 2-[4-[(2-aminopyrimidin-5-yl)amino]phenyl]acetic acid?
The InChIKey is IZRYRFFFOHYONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-12-14-6-10(7-15-12)16-9-3-1-8(2-4-9)5-11(17)18/h1-4,6-7,16H,5H2,(H,17,18)(H2,13,14,15).
What are the key properties of 2-[4-[(2-aminopyrimidin-5-yl)amino]phenyl]acetic acid?
2-[4-[(2-aminopyrimidin-5-yl)amino]phenyl]acetic acid has a molecular weight of 244.25 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-aminopyrimidin-5-yl)amino]phenyl]acetic acid is sourced from PubChem (CID 115055324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).