2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine

C12H12ClN7 — CID 71517684

IUPAC2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine
SMILESCC(C)n1cnc2c(Nc3ccnnc3)nc(Cl)nc21
InChIInChI=1S/C12H12ClN7/c1-7(2)20-6-14-9-10(18-12(13)19-11(9)20)17-8-3-4-15-16-5-8/h3-7H,1-2H3,(H,15,17,18,19)
InChIKeyZBJCJDGVTDSVKX-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.59
Rot. Bonds3

About 2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine

2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine (PubChem CID 71517684) has the molecular formula C12H12ClN7 and a molecular weight of 289.73 g/mol. Its IUPAC name is 2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine.

Molecular Properties

Compound Name2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine
PubChem CID71517684
Molecular FormulaC12H12ClN7
Molecular Weight289.73 g/mol
Exact Mass289.08
IUPAC Name2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine
SMILESCC(C)n1cnc2c(Nc3ccnnc3)nc(Cl)nc21
InChIInChI=1S/C12H12ClN7/c1-7(2)20-6-14-9-10(18-12(13)19-11(9)20)17-8-3-4-15-16-5-8/h3-7H,1-2H3,(H,15,17,18,19)
InChIKeyZBJCJDGVTDSVKX-UHFFFAOYSA-N
XLogP2.59
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 66549112
CID 66549112
CID 68288074
CID 68288074
CID 71518373
CID 71518373
CID 71518374
CID 71518374
CID 71518375
CID 71518375
CID 71518530
CID 71518530
CID 71716749
CID 71716749
CID 71717944
CID 71717944
CID 71719776
CID 71719776
CID 71720387
CID 71720387
CID 72375344
CID 72375344
CID 73346435
CID 73346435

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine?
The IUPAC name of 2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine (CID 71517684) is 2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine.
What is the SMILES notation for 2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine?
The canonical SMILES for 2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine is CC(C)n1cnc2c(Nc3ccnnc3)nc(Cl)nc21.
What is the InChIKey of 2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine?
The InChIKey is ZBJCJDGVTDSVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN7/c1-7(2)20-6-14-9-10(18-12(13)19-11(9)20)17-8-3-4-15-16-5-8/h3-7H,1-2H3,(H,15,17,18,19).
What are the key properties of 2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine?
2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine has a molecular weight of 289.73 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine is sourced from PubChem (CID 71517684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).