5-amino-6-(4-methylanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one

C12H12N6O — CID 3072247

IUPAC5-amino-6-(4-methylanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(Nc2nc3[nH]ncc3c(=O)n2N)cc1
InChIInChI=1S/C12H12N6O/c1-7-2-4-8(5-3-7)15-12-16-10-9(6-14-17-10)11(19)18(12)13/h2-6H,13H2,1H3,(H2,14,15,16,17)
InChIKeyOKEPLQOMEFVNNF-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.89
Rot. Bonds2

About 5-amino-6-(4-methylanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one

5-amino-6-(4-methylanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 3072247) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 5-amino-6-(4-methylanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-(4-methylanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID3072247
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name5-amino-6-(4-methylanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(Nc2nc3[nH]ncc3c(=O)n2N)cc1
InChIInChI=1S/C12H12N6O/c1-7-2-4-8(5-3-7)15-12-16-10-9(6-14-17-10)11(19)18(12)13/h2-6H,13H2,1H3,(H2,14,15,16,17)
InChIKeyOKEPLQOMEFVNNF-UHFFFAOYSA-N
XLogP0.89
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-6-(4-methylanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one 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 5-amino-6-(4-methylanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-amino-6-(4-methylanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one (CID 3072247) is 5-amino-6-(4-methylanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-(4-methylanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-(4-methylanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(Nc2nc3[nH]ncc3c(=O)n2N)cc1.
What is the InChIKey of 5-amino-6-(4-methylanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OKEPLQOMEFVNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-7-2-4-8(5-3-7)15-12-16-10-9(6-14-17-10)11(19)18(12)13/h2-6H,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-amino-6-(4-methylanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
5-amino-6-(4-methylanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 256.27 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-methylanilino)-1H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 3072247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).