N-(2-morpholin-4-ylethyl)-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine

C23H32N8O2 — CID 117091251

IUPACN-(2-morpholin-4-ylethyl)-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
SMILESCC(C)n1c(-c2ccc(N3CCOCC3)nc2)nc2c(NCCN3CCOCC3)ncnc21
InChIInChI=1S/C23H32N8O2/c1-17(2)31-22(18-3-4-19(25-15-18)30-9-13-33-14-10-30)28-20-21(26-16-27-23(20)31)24-5-6-29-7-11-32-12-8-29/h3-4,15-17H,5-14H2,1-2H3,(H,24,26,27)
InChIKeyDGGZALFGAJCZND-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.05
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine

N-(2-morpholin-4-ylethyl)-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine (PubChem CID 117091251) has the molecular formula C23H32N8O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
PubChem CID117091251
Molecular FormulaC23H32N8O2
Molecular Weight452.56 g/mol
Exact Mass452.26
IUPAC NameN-(2-morpholin-4-ylethyl)-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
SMILESCC(C)n1c(-c2ccc(N3CCOCC3)nc2)nc2c(NCCN3CCOCC3)ncnc21
InChIInChI=1S/C23H32N8O2/c1-17(2)31-22(18-3-4-19(25-15-18)30-9-13-33-14-10-30)28-20-21(26-16-27-23(20)31)24-5-6-29-7-11-32-12-8-29/h3-4,15-17H,5-14H2,1-2H3,(H,24,26,27)
InChIKeyDGGZALFGAJCZND-UHFFFAOYSA-N
XLogP2.05
TPSA93.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine (CID 117091251) is N-(2-morpholin-4-ylethyl)-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine is CC(C)n1c(-c2ccc(N3CCOCC3)nc2)nc2c(NCCN3CCOCC3)ncnc21.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine?
The InChIKey is DGGZALFGAJCZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8O2/c1-17(2)31-22(18-3-4-19(25-15-18)30-9-13-33-14-10-30)28-20-21(26-16-27-23(20)31)24-5-6-29-7-11-32-12-8-29/h3-4,15-17H,5-14H2,1-2H3,(H,24,26,27).
What are the key properties of N-(2-morpholin-4-ylethyl)-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine?
N-(2-morpholin-4-ylethyl)-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine has a molecular weight of 452.56 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine is sourced from PubChem (CID 117091251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).