9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine

C23H22N8 — CID 117084811

IUPAC9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(NCc3cccnc3)nc(Nc3ccc4ncccc4c3)nc21
InChIInChI=1S/C23H22N8/c1-15(2)31-14-27-20-21(26-13-16-5-3-9-24-12-16)29-23(30-22(20)31)28-18-7-8-19-17(11-18)6-4-10-25-19/h3-12,14-15H,13H2,1-2H3,(H2,26,28,29,30)
InChIKeyCPVSGXJTKUZCDR-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.71
Rot. Bonds6

About 9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine

9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine (PubChem CID 117084811) has the molecular formula C23H22N8 and a molecular weight of 410.49 g/mol. Its IUPAC name is 9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine.

Molecular Properties

Compound Name9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine
PubChem CID117084811
Molecular FormulaC23H22N8
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(NCc3cccnc3)nc(Nc3ccc4ncccc4c3)nc21
InChIInChI=1S/C23H22N8/c1-15(2)31-14-27-20-21(26-13-16-5-3-9-24-12-16)29-23(30-22(20)31)28-18-7-8-19-17(11-18)6-4-10-25-19/h3-12,14-15H,13H2,1-2H3,(H2,26,28,29,30)
InChIKeyCPVSGXJTKUZCDR-UHFFFAOYSA-N
XLogP4.71
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine with MolForge

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

Launch Full Analysis

Related Compounds

6-N-[2-(4-methoxyphenyl)ethyl]-9-propan-2-yl-2-N-quinolin-6-ylpurine-2,6-diamine
CID 117083225
6-N-(1,3-benzodioxol-5-yl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117080377
2-N-[(3R)-2-methylpentan-3-yl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 91472245
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
(3S,4S)-4-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]hexan-3-ol
CID 16718284
(3R,4S)-2-methyl-4-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]hexan-3-ol
CID 16718335
9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117088690
6-N-benzyl-2-N-(4-methoxyphenyl)-9-propan-2-ylpurine-2,6-diamine
CID 21051794
6-N-[2-(4-methoxyphenyl)ethyl]-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117080623
2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 59095048
9-propan-2-yl-2-N-pyridin-4-yl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117085414
6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117080592

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine?
The IUPAC name of 9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine (CID 117084811) is 9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine.
What is the SMILES notation for 9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine?
The canonical SMILES for 9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine is CC(C)n1cnc2c(NCc3cccnc3)nc(Nc3ccc4ncccc4c3)nc21.
What is the InChIKey of 9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine?
The InChIKey is CPVSGXJTKUZCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8/c1-15(2)31-14-27-20-21(26-13-16-5-3-9-24-12-16)29-23(30-22(20)31)28-18-7-8-19-17(11-18)6-4-10-25-19/h3-12,14-15H,13H2,1-2H3,(H2,26,28,29,30).
What are the key properties of 9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine?
9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine has a molecular weight of 410.49 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine is sourced from PubChem (CID 117084811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).