3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine

C23H28N8 — CID 130311567

IUPAC3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine
SMILESCc1cccc2cc(Cn3cnc4c(N)ncnc43)c(N(C)C3CC(C)N(C)C3)nc12
InChIInChI=1S/C23H28N8/c1-14-6-5-7-16-9-17(10-31-13-27-20-21(24)25-12-26-23(20)31)22(28-19(14)16)30(4)18-8-15(2)29(3)11-18/h5-7,9,12-13,15,18H,8,10-11H2,1-4H3,(H2,24,25,26)
InChIKeyPSMLXGPLELZINQ-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.84
Rot. Bonds4

About 3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine

3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine (PubChem CID 130311567) has the molecular formula C23H28N8 and a molecular weight of 416.53 g/mol. Its IUPAC name is 3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine.

Molecular Properties

Compound Name3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine
PubChem CID130311567
Molecular FormulaC23H28N8
Molecular Weight416.53 g/mol
Exact Mass416.24
IUPAC Name3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine
SMILESCc1cccc2cc(Cn3cnc4c(N)ncnc43)c(N(C)C3CC(C)N(C)C3)nc12
InChIInChI=1S/C23H28N8/c1-14-6-5-7-16-9-17(10-31-13-27-20-21(24)25-12-26-23(20)31)22(28-19(14)16)30(4)18-8-15(2)29(3)11-18/h5-7,9,12-13,15,18H,8,10-11H2,1-4H3,(H2,24,25,26)
InChIKeyPSMLXGPLELZINQ-UHFFFAOYSA-N
XLogP2.84
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine 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

9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine
CID 67200292
CID 87159034
CID 87159034
9-[[2-(2-ethoxyphenyl)-8-methylquinolin-3-yl]methyl]purin-6-amine
CID 66800156
9-[[6-(2-methylphenyl)quinolin-7-yl]methyl]purin-6-amine
CID 71610016
9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine
CID 79241002
N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine
CID 14022452
9-[(4-methylphenyl)methyl]purin-6-amine
CID 30470362
9-[3-[methyl(oxolan-3-yl)amino]propyl]purin-6-amine
CID 115617276
9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine
CID 62897430
9-[3-(2-methylphenyl)sulfanylpropyl]purin-6-amine
CID 62873662
9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine
CID 70922553
9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine
CID 62469538

Frequently Asked Questions

What is the IUPAC name of 3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine?
The IUPAC name of 3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine (CID 130311567) is 3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine.
What is the SMILES notation for 3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine?
The canonical SMILES for 3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine is Cc1cccc2cc(Cn3cnc4c(N)ncnc43)c(N(C)C3CC(C)N(C)C3)nc12.
What is the InChIKey of 3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine?
The InChIKey is PSMLXGPLELZINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8/c1-14-6-5-7-16-9-17(10-31-13-27-20-21(24)25-12-26-23(20)31)22(28-19(14)16)30(4)18-8-15(2)29(3)11-18/h5-7,9,12-13,15,18H,8,10-11H2,1-4H3,(H2,24,25,26).
What are the key properties of 3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine?
3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine has a molecular weight of 416.53 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine is sourced from PubChem (CID 130311567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).