3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide

C18H20N6O3 — CID 90736300

IUPAC3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide
SMILESNC(=O)CCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C18H20N6O3/c19-14(26)4-5-24-11-20-16-15(12-2-1-3-13(25)10-12)21-18(22-17(16)24)23-6-8-27-9-7-23/h1-3,10-11,25H,4-9H2,(H2,19,26)
InChIKeyCUCXMVHUYNRMKK-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.91
Rot. Bonds5

About 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide

3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide (PubChem CID 90736300) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide.

Molecular Properties

Compound Name3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide
PubChem CID90736300
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide
SMILESNC(=O)CCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C18H20N6O3/c19-14(26)4-5-24-11-20-16-15(12-2-1-3-13(25)10-12)21-18(22-17(16)24)23-6-8-27-9-7-23/h1-3,10-11,25H,4-9H2,(H2,19,26)
InChIKeyCUCXMVHUYNRMKK-UHFFFAOYSA-N
XLogP0.91
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 44608912
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-[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
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
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
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
5-[2-morpholin-4-yl-9-(2-piperazin-1-ylethyl)purin-6-yl]pyrimidin-2-amine
CID 58285250
[4-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]ethyl]phenyl]-methoxymethanol
CID 143924348
3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol
CID 123967937

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide?
The IUPAC name of 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide (CID 90736300) is 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide.
What is the SMILES notation for 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide?
The canonical SMILES for 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide is NC(=O)CCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.
What is the InChIKey of 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide?
The InChIKey is CUCXMVHUYNRMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c19-14(26)4-5-24-11-20-16-15(12-2-1-3-13(25)10-12)21-18(22-17(16)24)23-6-8-27-9-7-23/h1-3,10-11,25H,4-9H2,(H2,19,26).
What are the key properties of 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide?
3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide has a molecular weight of 368.40 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide is sourced from PubChem (CID 90736300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).