[3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenyl]methanol

C21H26N6O2 — CID 25070551

IUPAC[3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenyl]methanol
SMILESOCc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCNCC4)c3n2)c1
InChIInChI=1S/C21H26N6O2/c28-13-15-2-1-3-16(12-15)19-24-20(26-8-10-29-11-9-26)18-21(25-19)27(14-23-18)17-4-6-22-7-5-17/h1-3,12,14,17,22,28H,4-11,13H2
InChIKeyWRDKHOAPBRCYSS-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.75
Rot. Bonds4

About [3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenyl]methanol

[3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenyl]methanol (PubChem CID 25070551) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is [3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenyl]methanol
PubChem CID25070551
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name[3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenyl]methanol
SMILESOCc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCNCC4)c3n2)c1
InChIInChI=1S/C21H26N6O2/c28-13-15-2-1-3-16(12-15)19-24-20(26-8-10-29-11-9-26)18-21(25-19)27(14-23-18)17-4-6-22-7-5-17/h1-3,12,14,17,22,28H,4-11,13H2
InChIKeyWRDKHOAPBRCYSS-UHFFFAOYSA-N
XLogP1.75
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Roscovitine
CID 160355
6-benzylamino-9-(2-tetrahydropyranyl)-9H-purine
CID 16834
2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
CID 5097
Olomoucine Ii
CID 5494414
[(2R)-1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]pyrrolidin-2-yl]methanol
CID 6538915
(2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}-2-phenylethan-1-ol
CID 6538920
2,6,9-Trisubstituted purine deriv. 18
CID 6538923
(2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}propan-1-ol
CID 6538924
(2S)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}propan-1-ol
CID 6538925
[(2R)-1-[6-(benzylamino)-9-cyclopentyl-9H-purin-2-yl]pyrrolidin-2-yl]methanol
CID 6538929
4-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]-2-phenylbut-3-yn-2-ol
CID 6538939
(2S)-2-((9-(1-Methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanol
CID 6603989

Frequently Asked Questions

What is the IUPAC name of [3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenyl]methanol?
The IUPAC name of [3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenyl]methanol (CID 25070551) is [3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenyl]methanol.
What is the SMILES notation for [3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenyl]methanol?
The canonical SMILES for [3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenyl]methanol is OCc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCNCC4)c3n2)c1.
What is the InChIKey of [3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenyl]methanol?
The InChIKey is WRDKHOAPBRCYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c28-13-15-2-1-3-16(12-15)19-24-20(26-8-10-29-11-9-26)18-21(25-19)27(14-23-18)17-4-6-22-7-5-17/h1-3,12,14,17,22,28H,4-11,13H2.
What are the key properties of [3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenyl]methanol?
[3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenyl]methanol has a molecular weight of 394.48 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenyl]methanol is sourced from PubChem (CID 25070551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).