3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol

C19H21N5O3 — CID 25256550

IUPAC3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCOC2)c1
InChIInChI=1S/C19H21N5O3/c25-15-3-1-2-13(10-15)16-17-18(24(12-20-17)14-4-7-27-11-14)22-19(21-16)23-5-8-26-9-6-23/h1-3,10,12,14,25H,4-9,11H2
InChIKeyITPANQGUUGRCKZ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.00
Rot. Bonds3

About 3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol

3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol (PubChem CID 25256550) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol.

Molecular Properties

Compound Name3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol
PubChem CID25256550
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCOC2)c1
InChIInChI=1S/C19H21N5O3/c25-15-3-1-2-13(10-15)16-17-18(24(12-20-17)14-4-7-27-11-14)22-19(21-16)23-5-8-26-9-6-23/h1-3,10,12,14,25H,4-9,11H2
InChIKeyITPANQGUUGRCKZ-UHFFFAOYSA-N
XLogP2.00
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 44608912
3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide
CID 90736300
3-[9-[2-(diethylamino)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25256551
3-[9-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25255155
3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol
CID 46225280
3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol
CID 123967937
3-[2-morpholin-4-yl-9-[[3-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methyl]purin-6-yl]phenol
CID 143785478
4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine
CID 25256463
3-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]-3-piperidin-1-ylpropanamide
CID 68731809
2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide
CID 58285342
3-[9-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol
CID 25073083
ethyl 2-[2-chloro-6-(3-hydroxyphenyl)purin-9-yl]acetate;ethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate;morpholine
CID 158240757

Frequently Asked Questions

What is the IUPAC name of 3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol?
The IUPAC name of 3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol (CID 25256550) is 3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol.
What is the SMILES notation for 3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol?
The canonical SMILES for 3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol is Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCOC2)c1.
What is the InChIKey of 3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol?
The InChIKey is ITPANQGUUGRCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c25-15-3-1-2-13(10-15)16-17-18(24(12-20-17)14-4-7-27-11-14)22-19(21-16)23-5-8-26-9-6-23/h1-3,10,12,14,25H,4-9,11H2.
What are the key properties of 3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol?
3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol has a molecular weight of 367.41 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol is sourced from PubChem (CID 25256550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).