1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol

C24H28N8O2 — CID 174597339

IUPAC1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol
SMILESCC(O)CN(C)c1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)nc3nc[nH]c23)cn1
InChIInChI=1S/C24H28N8O2/c1-16(33)14-31(2)20-8-3-17(13-25-20)21-22-23(27-15-26-22)30-24(29-21)28-18-4-6-19(7-5-18)32-9-11-34-12-10-32/h3-8,13,15-16,33H,9-12,14H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyZSBUIYDAWNTKHJ-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.81
Rot. Bonds7

About 1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol

1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol (PubChem CID 174597339) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol
PubChem CID174597339
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol
SMILESCC(O)CN(C)c1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)nc3nc[nH]c23)cn1
InChIInChI=1S/C24H28N8O2/c1-16(33)14-31(2)20-8-3-17(13-25-20)21-22-23(27-15-26-22)30-24(29-21)28-18-4-6-19(7-5-18)32-9-11-34-12-10-32/h3-8,13,15-16,33H,9-12,14H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyZSBUIYDAWNTKHJ-UHFFFAOYSA-N
XLogP2.81
TPSA115.32 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol with MolForge

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Related Compounds

6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine
CID 174581810
6-[5-(aminomethyl)-2-chlorophenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine
CID 174597306
1-[4-[[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]amino]piperidin-1-yl]ethanone
CID 59160532
N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine
CID 45493316
4-[6-(4-morpholin-4-ylanilino)-7H-purin-2-yl]benzamide
CID 117080367
1-[4-[4-[(6-piperidin-1-yl-7H-purin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 174686616
6-N-[(4S)-dithian-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
CID 146282299
8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine
CID 25060894
2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
CID 117079543
N-butan-2-yl-6-pyridin-3-yl-7H-purin-2-amine
CID 68522169
2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine
CID 117079432
5-fluoro-4-(5-fluoro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 24889684

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol (CID 174597339) is 1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol is CC(O)CN(C)c1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)nc3nc[nH]c23)cn1.
What is the InChIKey of 1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol?
The InChIKey is ZSBUIYDAWNTKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-16(33)14-31(2)20-8-3-17(13-25-20)21-22-23(27-15-26-22)30-24(29-21)28-18-4-6-19(7-5-18)32-9-11-34-12-10-32/h3-8,13,15-16,33H,9-12,14H2,1-2H3,(H2,26,27,28,29,30).
What are the key properties of 1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol?
1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol has a molecular weight of 460.54 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 174597339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).