4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C11H10N6 — CID 76847078

IUPAC4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESNc1nc(Nc2ccccc2)c2cn[nH]c2n1
InChIInChI=1S/C11H10N6/c12-11-15-9(8-6-13-17-10(8)16-11)14-7-4-2-1-3-5-7/h1-6H,(H4,12,13,14,15,16,17)
InChIKeyFAZRQAJAYVKTDQ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.68
Rot. Bonds2

About 4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 76847078) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID76847078
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESNc1nc(Nc2ccccc2)c2cn[nH]c2n1
InChIInChI=1S/C11H10N6/c12-11-15-9(8-6-13-17-10(8)16-11)14-7-4-2-1-3-5-7/h1-6H,(H4,12,13,14,15,16,17)
InChIKeyFAZRQAJAYVKTDQ-UHFFFAOYSA-N
XLogP1.68
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine 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 4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 76847078) is 4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is Nc1nc(Nc2ccccc2)c2cn[nH]c2n1.
What is the InChIKey of 4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is FAZRQAJAYVKTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-11-15-9(8-6-13-17-10(8)16-11)14-7-4-2-1-3-5-7/h1-6H,(H4,12,13,14,15,16,17).
What are the key properties of 4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 226.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 76847078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).