3-(furan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

C9H8N6O — CID 22145347

IUPAC3-(furan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESNc1nc(N)c2c(-c3ccco3)[nH]nc2n1
InChIInChI=1S/C9H8N6O/c10-7-5-6(4-2-1-3-16-4)14-15-8(5)13-9(11)12-7/h1-3H,(H5,10,11,12,13,14,15)
InChIKeyLBWYEJUSOJZJHR-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.78
Rot. Bonds1

About 3-(furan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

3-(furan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 22145347) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is 3-(furan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name3-(furan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID22145347
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name3-(furan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESNc1nc(N)c2c(-c3ccco3)[nH]nc2n1
InChIInChI=1S/C9H8N6O/c10-7-5-6(4-2-1-3-16-4)14-15-8(5)13-9(11)12-7/h1-3H,(H5,10,11,12,13,14,15)
InChIKeyLBWYEJUSOJZJHR-UHFFFAOYSA-N
XLogP0.78
TPSA119.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(furan-2-yl)-2H-pyrazolo[3,4-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 3-(furan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 3-(furan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 22145347) is 3-(furan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 3-(furan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 3-(furan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is Nc1nc(N)c2c(-c3ccco3)[nH]nc2n1.
What is the InChIKey of 3-(furan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is LBWYEJUSOJZJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O/c10-7-5-6(4-2-1-3-16-4)14-15-8(5)13-9(11)12-7/h1-3H,(H5,10,11,12,13,14,15).
What are the key properties of 3-(furan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
3-(furan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 216.20 g/mol, XLogP of 0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 22145347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).