9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine

C24H28N8 — CID 58441986

IUPAC9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine
SMILESCN1CCN(CCc2ccc(Nc3ncc4nc(-c5ccncc5)n(C)c4n3)cc2)CC1
InChIInChI=1S/C24H28N8/c1-30-13-15-32(16-14-30)12-9-18-3-5-20(6-4-18)27-24-26-17-21-23(29-24)31(2)22(28-21)19-7-10-25-11-8-19/h3-8,10-11,17H,9,12-16H2,1-2H3,(H,26,27,29)
InChIKeyOLIBBAODESAITO-UHFFFAOYSA-N
MW428.54 g/mol
LogP2.96
Rot. Bonds6

About 9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine

9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine (PubChem CID 58441986) has the molecular formula C24H28N8 and a molecular weight of 428.54 g/mol. Its IUPAC name is 9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine.

Molecular Properties

Compound Name9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine
PubChem CID58441986
Molecular FormulaC24H28N8
Molecular Weight428.54 g/mol
Exact Mass428.24
IUPAC Name9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine
SMILESCN1CCN(CCc2ccc(Nc3ncc4nc(-c5ccncc5)n(C)c4n3)cc2)CC1
InChIInChI=1S/C24H28N8/c1-30-13-15-32(16-14-30)12-9-18-3-5-20(6-4-18)27-24-26-17-21-23(29-24)31(2)22(28-21)19-7-10-25-11-8-19/h3-8,10-11,17H,9,12-16H2,1-2H3,(H,26,27,29)
InChIKeyOLIBBAODESAITO-UHFFFAOYSA-N
XLogP2.96
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine
CID 24745635
5-[4-[(9-methyl-8-pyridin-4-ylpurin-2-yl)amino]phenyl]pentan-2-one
CID 58442007
4-[3-[(9-methyl-8-pyridin-4-ylpurin-2-yl)amino]phenyl]butan-2-one
CID 58441921
9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine
CID 24745489
8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine
CID 58441916
N-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-9-methylpurin-2-amine
CID 174584208
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine
CID 143042806
8-(4-ethynylphenyl)-N-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 24936602
4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine
CID 70648003
8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 25222985
9-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-8-pyridin-4-ylpurin-2-amine
CID 142780225
9-[(2,4-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-8-pyridin-4-ylpurin-2-amine
CID 58441997

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine?
The IUPAC name of 9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine (CID 58441986) is 9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine.
What is the SMILES notation for 9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine?
The canonical SMILES for 9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine is CN1CCN(CCc2ccc(Nc3ncc4nc(-c5ccncc5)n(C)c4n3)cc2)CC1.
What is the InChIKey of 9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine?
The InChIKey is OLIBBAODESAITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8/c1-30-13-15-32(16-14-30)12-9-18-3-5-20(6-4-18)27-24-26-17-21-23(29-24)31(2)22(28-21)19-7-10-25-11-8-19/h3-8,10-11,17H,9,12-16H2,1-2H3,(H,26,27,29).
What are the key properties of 9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine?
9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine has a molecular weight of 428.54 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine is sourced from PubChem (CID 58441986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).