2-(4-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)acetic acid

C8H9N5O2 — CID 166517918

IUPAC2-(4-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)acetic acid
SMILESCc1nc(N)c2cnn(CC(=O)O)c2n1
InChIInChI=1S/C8H9N5O2/c1-4-11-7(9)5-2-10-13(3-6(14)15)8(5)12-4/h2H,3H2,1H3,(H,14,15)(H2,9,11,12)
InChIKeyVMMHVWOCEHYYEF-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.20
Rot. Bonds2

About 2-(4-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)acetic acid

2-(4-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)acetic acid (PubChem CID 166517918) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)acetic acid
PubChem CID166517918
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name2-(4-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)acetic acid
SMILESCc1nc(N)c2cnn(CC(=O)O)c2n1
InChIInChI=1S/C8H9N5O2/c1-4-11-7(9)5-2-10-13(3-6(14)15)8(5)12-4/h2H,3H2,1H3,(H,14,15)(H2,9,11,12)
InChIKeyVMMHVWOCEHYYEF-UHFFFAOYSA-N
XLogP-0.20
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)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-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(4-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)acetic acid (CID 166517918) is 2-(4-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)acetic acid is Cc1nc(N)c2cnn(CC(=O)O)c2n1.
What is the InChIKey of 2-(4-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)acetic acid?
The InChIKey is VMMHVWOCEHYYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-4-11-7(9)5-2-10-13(3-6(14)15)8(5)12-4/h2H,3H2,1H3,(H,14,15)(H2,9,11,12).
What are the key properties of 2-(4-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)acetic acid?
2-(4-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)acetic acid has a molecular weight of 207.19 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)acetic acid is sourced from PubChem (CID 166517918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).