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

C24H34N6O2 — CID 6605123

IUPACN,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-pyrrolidin-1-ylethyl)purin-6-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c1nc(-c1ccccc1)n2CCN1CCCC1
InChIInChI=1S/C24H34N6O2/c1-19-25-23(29(15-17-31-2)16-18-32-3)21-24(26-19)30(14-13-28-11-7-8-12-28)22(27-21)20-9-5-4-6-10-20/h4-6,9-10H,7-8,11-18H2,1-3H3
InChIKeyHMZARAZFAWELQM-UHFFFAOYSA-N
MW438.58 g/mol
LogP3.00
Rot. Bonds11

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

N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-pyrrolidin-1-ylethyl)purin-6-amine (PubChem CID 6605123) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-pyrrolidin-1-ylethyl)purin-6-amine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-pyrrolidin-1-ylethyl)purin-6-amine
PubChem CID6605123
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC NameN,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-pyrrolidin-1-ylethyl)purin-6-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c1nc(-c1ccccc1)n2CCN1CCCC1
InChIInChI=1S/C24H34N6O2/c1-19-25-23(29(15-17-31-2)16-18-32-3)21-24(26-19)30(14-13-28-11-7-8-12-28)22(27-21)20-9-5-4-6-10-20/h4-6,9-10H,7-8,11-18H2,1-3H3
InChIKeyHMZARAZFAWELQM-UHFFFAOYSA-N
XLogP3.00
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 53.00
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-pyrrolidin-1-ylethyl)purin-6-amine?
The IUPAC name of N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-pyrrolidin-1-ylethyl)purin-6-amine (CID 6605123) is N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-pyrrolidin-1-ylethyl)purin-6-amine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-pyrrolidin-1-ylethyl)purin-6-amine?
The canonical SMILES for N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-pyrrolidin-1-ylethyl)purin-6-amine is COCCN(CCOC)c1nc(C)nc2c1nc(-c1ccccc1)n2CCN1CCCC1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-pyrrolidin-1-ylethyl)purin-6-amine?
The InChIKey is HMZARAZFAWELQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-19-25-23(29(15-17-31-2)16-18-32-3)21-24(26-19)30(14-13-28-11-7-8-12-28)22(27-21)20-9-5-4-6-10-20/h4-6,9-10H,7-8,11-18H2,1-3H3.
What are the key properties of N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-pyrrolidin-1-ylethyl)purin-6-amine?
N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-pyrrolidin-1-ylethyl)purin-6-amine has a molecular weight of 438.58 g/mol, XLogP of 3.00, 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-pyrrolidin-1-ylethyl)purin-6-amine is sourced from PubChem (CID 6605123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).