3-[2-[9-(phenylmethoxymethyl)purin-6-yl]phenyl]benzamide

C26H21N5O2 — CID 122531255

IUPAC3-[2-[9-(phenylmethoxymethyl)purin-6-yl]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccccc2-c2ncnc3c2ncn3COCc2ccccc2)c1
InChIInChI=1S/C26H21N5O2/c27-25(32)20-10-6-9-19(13-20)21-11-4-5-12-22(21)23-24-26(29-15-28-23)31(16-30-24)17-33-14-18-7-2-1-3-8-18/h1-13,15-16H,14,17H2,(H2,27,32)
InChIKeyGWZXWIPKDUSGIX-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.43
Rot. Bonds7

About 3-[2-[9-(phenylmethoxymethyl)purin-6-yl]phenyl]benzamide

3-[2-[9-(phenylmethoxymethyl)purin-6-yl]phenyl]benzamide (PubChem CID 122531255) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 3-[2-[9-(phenylmethoxymethyl)purin-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-[2-[9-(phenylmethoxymethyl)purin-6-yl]phenyl]benzamide
PubChem CID122531255
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC Name3-[2-[9-(phenylmethoxymethyl)purin-6-yl]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccccc2-c2ncnc3c2ncn3COCc2ccccc2)c1
InChIInChI=1S/C26H21N5O2/c27-25(32)20-10-6-9-19(13-20)21-11-4-5-12-22(21)23-24-26(29-15-28-23)31(16-30-24)17-33-14-18-7-2-1-3-8-18/h1-13,15-16H,14,17H2,(H2,27,32)
InChIKeyGWZXWIPKDUSGIX-UHFFFAOYSA-N
XLogP4.43
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-2-[9-(phenylmethoxymethyl)purin-6-yl]benzamide
CID 122531253
2-(9-benzylpurin-6-yl)-3-phenylbenzamide
CID 122531264
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
1-[4-(9-benzylpurin-6-yl)phenyl]ethanone
CID 15499185
benzyl (7R)-7-[2-(3-carbamoylphenyl)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 143921450
[(3S)-3-[(6-chloropurin-9-yl)methoxy]-5-phenylmethoxypentyl] 2,2-dimethylpropanoate
CID 22214968
tert-butyl N-[2-(9-benzylpurin-6-yl)phenyl]carbamate
CID 134847294
9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine
CID 10389201
[2-(6-aminopurin-9-yl)ethoxymethyl-(phenylmethoxycarbonyloxymethoxy)phosphoryl]oxymethyl benzyl carbonate
CID 24779748
1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone
CID 162663200
2-[(6-anilinopurin-9-yl)methoxy]ethyl acetate
CID 102255903
tert-butyl N-[2-(9-benzylpurin-6-yl)-5-chlorophenyl]carbamate
CID 154717362

Frequently Asked Questions

What is the IUPAC name of 3-[2-[9-(phenylmethoxymethyl)purin-6-yl]phenyl]benzamide?
The IUPAC name of 3-[2-[9-(phenylmethoxymethyl)purin-6-yl]phenyl]benzamide (CID 122531255) is 3-[2-[9-(phenylmethoxymethyl)purin-6-yl]phenyl]benzamide.
What is the SMILES notation for 3-[2-[9-(phenylmethoxymethyl)purin-6-yl]phenyl]benzamide?
The canonical SMILES for 3-[2-[9-(phenylmethoxymethyl)purin-6-yl]phenyl]benzamide is NC(=O)c1cccc(-c2ccccc2-c2ncnc3c2ncn3COCc2ccccc2)c1.
What is the InChIKey of 3-[2-[9-(phenylmethoxymethyl)purin-6-yl]phenyl]benzamide?
The InChIKey is GWZXWIPKDUSGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c27-25(32)20-10-6-9-19(13-20)21-11-4-5-12-22(21)23-24-26(29-15-28-23)31(16-30-24)17-33-14-18-7-2-1-3-8-18/h1-13,15-16H,14,17H2,(H2,27,32).
What are the key properties of 3-[2-[9-(phenylmethoxymethyl)purin-6-yl]phenyl]benzamide?
3-[2-[9-(phenylmethoxymethyl)purin-6-yl]phenyl]benzamide has a molecular weight of 435.49 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[9-(phenylmethoxymethyl)purin-6-yl]phenyl]benzamide is sourced from PubChem (CID 122531255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).