2-pyridin-3-yl-8,9-dihydro-7H-purine

C10H9N5 — CID 67148463

IUPAC2-pyridin-3-yl-8,9-dihydro-7H-purine
SMILESc1cncc(-c2ncc3c(n2)NCN3)c1
InChIInChI=1S/C10H9N5/c1-2-7(4-11-3-1)9-12-5-8-10(15-9)14-6-13-8/h1-5,13H,6H2,(H,12,14,15)
InChIKeyMNVJPHSTBQMBJQ-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.33
Rot. Bonds1

About 2-pyridin-3-yl-8,9-dihydro-7H-purine

2-pyridin-3-yl-8,9-dihydro-7H-purine (PubChem CID 67148463) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-pyridin-3-yl-8,9-dihydro-7H-purine.

Molecular Properties

Compound Name2-pyridin-3-yl-8,9-dihydro-7H-purine
PubChem CID67148463
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name2-pyridin-3-yl-8,9-dihydro-7H-purine
SMILESc1cncc(-c2ncc3c(n2)NCN3)c1
InChIInChI=1S/C10H9N5/c1-2-7(4-11-3-1)9-12-5-8-10(15-9)14-6-13-8/h1-5,13H,6H2,(H,12,14,15)
InChIKeyMNVJPHSTBQMBJQ-UHFFFAOYSA-N
XLogP1.33
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-pyridin-3-yl-8,9-dihydro-7H-purine 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-pyridin-3-yl-8,9-dihydro-7H-purine?
The IUPAC name of 2-pyridin-3-yl-8,9-dihydro-7H-purine (CID 67148463) is 2-pyridin-3-yl-8,9-dihydro-7H-purine.
What is the SMILES notation for 2-pyridin-3-yl-8,9-dihydro-7H-purine?
The canonical SMILES for 2-pyridin-3-yl-8,9-dihydro-7H-purine is c1cncc(-c2ncc3c(n2)NCN3)c1.
What is the InChIKey of 2-pyridin-3-yl-8,9-dihydro-7H-purine?
The InChIKey is MNVJPHSTBQMBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-2-7(4-11-3-1)9-12-5-8-10(15-9)14-6-13-8/h1-5,13H,6H2,(H,12,14,15).
What are the key properties of 2-pyridin-3-yl-8,9-dihydro-7H-purine?
2-pyridin-3-yl-8,9-dihydro-7H-purine has a molecular weight of 199.22 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-8,9-dihydro-7H-purine is sourced from PubChem (CID 67148463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).