9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine

C23H25N7O — CID 24745635

IUPAC9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine
SMILESCn1c(-c2ccncc2)nc2cnc(Nc3ccc(CCN4CCOCC4)cc3)nc21
InChIInChI=1S/C23H25N7O/c1-29-21(18-6-9-24-10-7-18)27-20-16-25-23(28-22(20)29)26-19-4-2-17(3-5-19)8-11-30-12-14-31-15-13-30/h2-7,9-10,16H,8,11-15H2,1H3,(H,25,26,28)
InChIKeyWICOBPMYLCUPKO-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.04
Rot. Bonds6

About 9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine

9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine (PubChem CID 24745635) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine.

Molecular Properties

Compound Name9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine
PubChem CID24745635
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine
SMILESCn1c(-c2ccncc2)nc2cnc(Nc3ccc(CCN4CCOCC4)cc3)nc21
InChIInChI=1S/C23H25N7O/c1-29-21(18-6-9-24-10-7-18)27-20-16-25-23(28-22(20)29)26-19-4-2-17(3-5-19)8-11-30-12-14-31-15-13-30/h2-7,9-10,16H,8,11-15H2,1H3,(H,25,26,28)
InChIKeyWICOBPMYLCUPKO-UHFFFAOYSA-N
XLogP3.04
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine
CID 58441986
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-methyl-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 175634186
4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride
CID 16665248
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 167795434
4-[2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethyl]morpholine
CID 1435306
6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one
CID 58094165
4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine
CID 70647980

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine?
The IUPAC name of 9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine (CID 24745635) is 9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine.
What is the SMILES notation for 9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine?
The canonical SMILES for 9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine is Cn1c(-c2ccncc2)nc2cnc(Nc3ccc(CCN4CCOCC4)cc3)nc21.
What is the InChIKey of 9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine?
The InChIKey is WICOBPMYLCUPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-29-21(18-6-9-24-10-7-18)27-20-16-25-23(28-22(20)29)26-19-4-2-17(3-5-19)8-11-30-12-14-31-15-13-30/h2-7,9-10,16H,8,11-15H2,1H3,(H,25,26,28).
What are the key properties of 9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine?
9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine has a molecular weight of 415.50 g/mol, XLogP of 3.04, 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-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine is sourced from PubChem (CID 24745635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).