N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine

C25H36N6O2 — CID 6605239

IUPACN,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c1nc(-c1ccccc1)n2CCN1CCCCC1
InChIInChI=1S/C25H36N6O2/c1-20-26-24(30(16-18-32-2)17-19-33-3)22-25(27-20)31(15-14-29-12-8-5-9-13-29)23(28-22)21-10-6-4-7-11-21/h4,6-7,10-11H,5,8-9,12-19H2,1-3H3
InChIKeySXOLMDZUNYZTOH-UHFFFAOYSA-N
MW452.60 g/mol
LogP3.39
Rot. Bonds11

About N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine

N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine (PubChem CID 6605239) has the molecular formula C25H36N6O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine
PubChem CID6605239
Molecular FormulaC25H36N6O2
Molecular Weight452.60 g/mol
Exact Mass452.29
IUPAC NameN,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c1nc(-c1ccccc1)n2CCN1CCCCC1
InChIInChI=1S/C25H36N6O2/c1-20-26-24(30(16-18-32-2)17-19-33-3)22-25(27-20)31(15-14-29-12-8-5-9-13-29)23(28-22)21-10-6-4-7-11-21/h4,6-7,10-11H,5,8-9,12-19H2,1-3H3
InChIKeySXOLMDZUNYZTOH-UHFFFAOYSA-N
XLogP3.39
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine?
The IUPAC name of N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine (CID 6605239) is N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine?
The canonical SMILES for N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine is COCCN(CCOC)c1nc(C)nc2c1nc(-c1ccccc1)n2CCN1CCCCC1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine?
The InChIKey is SXOLMDZUNYZTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O2/c1-20-26-24(30(16-18-32-2)17-19-33-3)22-25(27-20)31(15-14-29-12-8-5-9-13-29)23(28-22)21-10-6-4-7-11-21/h4,6-7,10-11H,5,8-9,12-19H2,1-3H3.
What are the key properties of N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine?
N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine has a molecular weight of 452.60 g/mol, XLogP of 3.39, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine is sourced from PubChem (CID 6605239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).