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

C26H21N5O2 — CID 122531253

IUPAC3-phenyl-2-[9-(phenylmethoxymethyl)purin-6-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccccc2)c1-c1ncnc2c1ncn2COCc1ccccc1
InChIInChI=1S/C26H21N5O2/c27-25(32)21-13-7-12-20(19-10-5-2-6-11-19)22(21)23-24-26(29-15-28-23)31(16-30-24)17-33-14-18-8-3-1-4-9-18/h1-13,15-16H,14,17H2,(H2,27,32)
InChIKeyPBOQOCUOZIQILY-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.43
Rot. Bonds7

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

3-phenyl-2-[9-(phenylmethoxymethyl)purin-6-yl]benzamide (PubChem CID 122531253) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 3-phenyl-2-[9-(phenylmethoxymethyl)purin-6-yl]benzamide.

Molecular Properties

Compound Name3-phenyl-2-[9-(phenylmethoxymethyl)purin-6-yl]benzamide
PubChem CID122531253
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC Name3-phenyl-2-[9-(phenylmethoxymethyl)purin-6-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccccc2)c1-c1ncnc2c1ncn2COCc1ccccc1
InChIInChI=1S/C26H21N5O2/c27-25(32)21-13-7-12-20(19-10-5-2-6-11-19)22(21)23-24-26(29-15-28-23)31(16-30-24)17-33-14-18-8-3-1-4-9-18/h1-13,15-16H,14,17H2,(H2,27,32)
InChIKeyPBOQOCUOZIQILY-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

2-(9-benzylpurin-6-yl)-3-phenylbenzamide
CID 122531264
3-[2-[9-(phenylmethoxymethyl)purin-6-yl]phenyl]benzamide
CID 122531255
5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 11646472
1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone
CID 162663200
1-[4-(9-benzylpurin-6-yl)phenyl]ethanone
CID 15499185
9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine
CID 11248509
2,3-diphenylbenzamide;phosphoric acid
CID 68745056
[(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-[1,3-bis(phenylmethoxy)propoxymethyl]purin-6-amine
CID 68910617
3-(benzylamino)-2-phenylbenzamide;dihydrochloride
CID 174723239
1-(9-benzylpurin-6-yl)naphthalen-2-ol
CID 135912215

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[9-(phenylmethoxymethyl)purin-6-yl]benzamide?
The IUPAC name of 3-phenyl-2-[9-(phenylmethoxymethyl)purin-6-yl]benzamide (CID 122531253) is 3-phenyl-2-[9-(phenylmethoxymethyl)purin-6-yl]benzamide.
What is the SMILES notation for 3-phenyl-2-[9-(phenylmethoxymethyl)purin-6-yl]benzamide?
The canonical SMILES for 3-phenyl-2-[9-(phenylmethoxymethyl)purin-6-yl]benzamide is NC(=O)c1cccc(-c2ccccc2)c1-c1ncnc2c1ncn2COCc1ccccc1.
What is the InChIKey of 3-phenyl-2-[9-(phenylmethoxymethyl)purin-6-yl]benzamide?
The InChIKey is PBOQOCUOZIQILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c27-25(32)21-13-7-12-20(19-10-5-2-6-11-19)22(21)23-24-26(29-15-28-23)31(16-30-24)17-33-14-18-8-3-1-4-9-18/h1-13,15-16H,14,17H2,(H2,27,32).
What are the key properties of 3-phenyl-2-[9-(phenylmethoxymethyl)purin-6-yl]benzamide?
3-phenyl-2-[9-(phenylmethoxymethyl)purin-6-yl]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-phenyl-2-[9-(phenylmethoxymethyl)purin-6-yl]benzamide is sourced from PubChem (CID 122531253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).