3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol

C17H19N5O3 — CID 44608912

IUPAC3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
SMILESOCCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C17H19N5O3/c23-7-4-22-11-18-15-14(12-2-1-3-13(24)10-12)19-17(20-16(15)22)21-5-8-25-9-6-21/h1-3,10-11,23-24H,4-9H2
InChIKeyQFTDNQUMJZTPMB-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.03
Rot. Bonds4

About 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol

3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol (PubChem CID 44608912) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol.

Molecular Properties

Compound Name3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
PubChem CID44608912
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
SMILESOCCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C17H19N5O3/c23-7-4-22-11-18-15-14(12-2-1-3-13(24)10-12)19-17(20-16(15)22)21-5-8-25-9-6-21/h1-3,10-11,23-24H,4-9H2
InChIKeyQFTDNQUMJZTPMB-UHFFFAOYSA-N
XLogP1.03
TPSA96.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[9-[2-(diethylamino)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25256551
3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide
CID 90736300
3-[9-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25255155
3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol
CID 25256550
3-[2-morpholin-4-yl-9-[[3-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methyl]purin-6-yl]phenol
CID 143785478
3-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]-3-piperidin-1-ylpropanamide
CID 68731809
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
3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol
CID 123967937
2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol
CID 44608908
4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate
CID 157433503
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol
CID 155102762

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol?
The IUPAC name of 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol (CID 44608912) is 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol.
What is the SMILES notation for 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol?
The canonical SMILES for 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol is OCCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.
What is the InChIKey of 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol?
The InChIKey is QFTDNQUMJZTPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c23-7-4-22-11-18-15-14(12-2-1-3-13(24)10-12)19-17(20-16(15)22)21-5-8-25-9-6-21/h1-3,10-11,23-24H,4-9H2.
What are the key properties of 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol?
3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol has a molecular weight of 341.37 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol is sourced from PubChem (CID 44608912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).