N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide

C15H16N6O2 — CID 71462400

IUPACN-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(COc2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C15H16N6O2/c1-9(22)17-6-10-3-2-4-11(5-10)7-23-14-12-13(19-8-18-12)20-15(16)21-14/h2-5,8H,6-7H2,1H3,(H,17,22)(H3,16,18,19,20,21)
InChIKeyAZYZDBZLSSRIBX-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.15
Rot. Bonds5

About N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide

N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide (PubChem CID 71462400) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide
PubChem CID71462400
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC NameN-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(COc2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C15H16N6O2/c1-9(22)17-6-10-3-2-4-11(5-10)7-23-14-12-13(19-8-18-12)20-15(16)21-14/h2-5,8H,6-7H2,1H3,(H,17,22)(H3,16,18,19,20,21)
InChIKeyAZYZDBZLSSRIBX-UHFFFAOYSA-N
XLogP1.15
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine
CID 5329518
6-[(3-aminophenyl)methoxy]-7H-purin-2-amine
CID 5329517
6-[(3-iodophenyl)methoxy]-7H-purin-2-amine
CID 11530724
N'-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-N-propylpentanediamide
CID 144895016
6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine
CID 5329522
4-[(2-amino-7H-purin-6-yl)oxymethyl]benzaldehyde
CID 10107108
6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine
CID 146985461
N'-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-N-[2-(2-methoxyethyldisulfanyl)ethyl]pentanediamide
CID 123949645
6-(3-ethylphenoxy)-7H-purin-2-amine
CID 114786919
N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-4-[3,7-bis(dimethylamino)-5,5-di(propan-2-yl)benzo[b][1]benzosilin-10-ylidene]butanamide
CID 142608815
N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-2-(48,49,63,64-tetrahydroxy-8,14,25,31,38,44,53,59-octaoxo-1,4,7,15,18,21,24,32,37,45,52,60-dodecazaheptacyclo[19.13.13.134,18.19,13.126,30.139,43.154,58]tetrahexaconta-9,11,13(63),26(49),27,29,39,41,43(48),54(64),55,57-dodecaen-7-yl)acetamide
CID 153131153
N'-[[4-[[2-amino-7-[1-(2-nitrophenyl)ethyl]purin-6-yl]oxymethyl]phenyl]methyl]-N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]pentanediamide
CID 71011405

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide (CID 71462400) is N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide is CC(=O)NCc1cccc(COc2nc(N)nc3nc[nH]c23)c1.
What is the InChIKey of N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide?
The InChIKey is AZYZDBZLSSRIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-9(22)17-6-10-3-2-4-11(5-10)7-23-14-12-13(19-8-18-12)20-15(16)21-14/h2-5,8H,6-7H2,1H3,(H,17,22)(H3,16,18,19,20,21).
What are the key properties of N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide?
N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide has a molecular weight of 312.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide is sourced from PubChem (CID 71462400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).