1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine

C12H10ClN5 — CID 80726491

IUPAC1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N)c2cnn(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C12H10ClN5/c1-7-16-11(14)10-6-15-18(12(10)17-7)9-4-2-3-8(13)5-9/h2-6H,1H3,(H2,14,16,17)
InChIKeyGSKVDDBOYJTTNH-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.36
Rot. Bonds1

About 1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine

1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 80726491) has the molecular formula C12H10ClN5 and a molecular weight of 259.70 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID80726491
Molecular FormulaC12H10ClN5
Molecular Weight259.70 g/mol
Exact Mass259.06
IUPAC Name1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N)c2cnn(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C12H10ClN5/c1-7-16-11(14)10-6-15-18(12(10)17-7)9-4-2-3-8(13)5-9/h2-6H,1H3,(H2,14,16,17)
InChIKeyGSKVDDBOYJTTNH-UHFFFAOYSA-N
XLogP2.36
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine 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 1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 80726491) is 1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(N)c2cnn(-c3cccc(Cl)c3)c2n1.
What is the InChIKey of 1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GSKVDDBOYJTTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5/c1-7-16-11(14)10-6-15-18(12(10)17-7)9-4-2-3-8(13)5-9/h2-6H,1H3,(H2,14,16,17).
What are the key properties of 1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 259.70 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 80726491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).