2-(5-aminopyrimidin-2-yl)-2,2-difluoroacetic acid

C6H5F2N3O2 — CID 84719218

IUPAC2-(5-aminopyrimidin-2-yl)-2,2-difluoroacetic acid
SMILESNc1cnc(C(F)(F)C(=O)O)nc1
InChIInChI=1S/C6H5F2N3O2/c7-6(8,5(12)13)4-10-1-3(9)2-11-4/h1-2H,9H2,(H,12,13)
InChIKeySEFZVBBAADQZJO-UHFFFAOYSA-N
MW189.12 g/mol
LogP0.24
Rot. Bonds2

About 2-(5-aminopyrimidin-2-yl)-2,2-difluoroacetic acid

2-(5-aminopyrimidin-2-yl)-2,2-difluoroacetic acid (PubChem CID 84719218) has the molecular formula C6H5F2N3O2 and a molecular weight of 189.12 g/mol. Its IUPAC name is 2-(5-aminopyrimidin-2-yl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(5-aminopyrimidin-2-yl)-2,2-difluoroacetic acid
PubChem CID84719218
Molecular FormulaC6H5F2N3O2
Molecular Weight189.12 g/mol
Exact Mass189.03
IUPAC Name2-(5-aminopyrimidin-2-yl)-2,2-difluoroacetic acid
SMILESNc1cnc(C(F)(F)C(=O)O)nc1
InChIInChI=1S/C6H5F2N3O2/c7-6(8,5(12)13)4-10-1-3(9)2-11-4/h1-2H,9H2,(H,12,13)
InChIKeySEFZVBBAADQZJO-UHFFFAOYSA-N
XLogP0.24
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.12
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-aminopyrimidin-2-yl)-2,2-difluoroacetic 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-(5-aminopyrimidin-2-yl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(5-aminopyrimidin-2-yl)-2,2-difluoroacetic acid (CID 84719218) is 2-(5-aminopyrimidin-2-yl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(5-aminopyrimidin-2-yl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(5-aminopyrimidin-2-yl)-2,2-difluoroacetic acid is Nc1cnc(C(F)(F)C(=O)O)nc1.
What is the InChIKey of 2-(5-aminopyrimidin-2-yl)-2,2-difluoroacetic acid?
The InChIKey is SEFZVBBAADQZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3O2/c7-6(8,5(12)13)4-10-1-3(9)2-11-4/h1-2H,9H2,(H,12,13).
What are the key properties of 2-(5-aminopyrimidin-2-yl)-2,2-difluoroacetic acid?
2-(5-aminopyrimidin-2-yl)-2,2-difluoroacetic acid has a molecular weight of 189.12 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopyrimidin-2-yl)-2,2-difluoroacetic acid is sourced from PubChem (CID 84719218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).