6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine

C20H28N8O — CID 117080592

IUPAC6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
SMILESCC(C)n1cnc2c(NCCN3CCOCC3)nc(NCc3cccnc3)nc21
InChIInChI=1S/C20H28N8O/c1-15(2)28-14-24-17-18(22-6-7-27-8-10-29-11-9-27)25-20(26-19(17)28)23-13-16-4-3-5-21-12-16/h3-5,12,14-15H,6-11,13H2,1-2H3,(H2,22,23,25,26)
InChIKeyYPWUPJUIACEGJG-UHFFFAOYSA-N
MW396.50 g/mol
LogP2.16
Rot. Bonds8

About 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine

6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine (PubChem CID 117080592) has the molecular formula C20H28N8O and a molecular weight of 396.50 g/mol. Its IUPAC name is 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
PubChem CID117080592
Molecular FormulaC20H28N8O
Molecular Weight396.50 g/mol
Exact Mass396.24
IUPAC Name6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
SMILESCC(C)n1cnc2c(NCCN3CCOCC3)nc(NCc3cccnc3)nc21
InChIInChI=1S/C20H28N8O/c1-15(2)28-14-24-17-18(22-6-7-27-8-10-29-11-9-27)25-20(26-19(17)28)23-13-16-4-3-5-21-12-16/h3-5,12,14-15H,6-11,13H2,1-2H3,(H2,22,23,25,26)
InChIKeyYPWUPJUIACEGJG-UHFFFAOYSA-N
XLogP2.16
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyridin-4-ylpurine-2,6-diamine
CID 117091293
6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117091753
6-N-[2-(4-methoxyphenyl)ethyl]-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117080623
9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117088690
2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
CID 117082508
2-N-[(3R)-2-methylpentan-3-yl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 91472245
6-N-(1,3-benzodioxol-5-yl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117080377
(3S,4S)-4-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]hexan-3-ol
CID 16718284
6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542884
6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine
CID 117091551
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-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine
CID 117084811

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine?
The IUPAC name of 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine (CID 117080592) is 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine.
What is the SMILES notation for 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine?
The canonical SMILES for 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine is CC(C)n1cnc2c(NCCN3CCOCC3)nc(NCc3cccnc3)nc21.
What is the InChIKey of 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine?
The InChIKey is YPWUPJUIACEGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N8O/c1-15(2)28-14-24-17-18(22-6-7-27-8-10-29-11-9-27)25-20(26-19(17)28)23-13-16-4-3-5-21-12-16/h3-5,12,14-15H,6-11,13H2,1-2H3,(H2,22,23,25,26).
What are the key properties of 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine?
6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine has a molecular weight of 396.50 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine is sourced from PubChem (CID 117080592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).