3-(6-aminopurin-9-yl)-N-methyl-N-(4-phenoxyphenyl)propanamide

C21H20N6O2 — CID 167981929

IUPAC3-(6-aminopurin-9-yl)-N-methyl-N-(4-phenoxyphenyl)propanamide
SMILESCN(C(=O)CCn1cnc2c(N)ncnc21)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H20N6O2/c1-26(15-7-9-17(10-8-15)29-16-5-3-2-4-6-16)18(28)11-12-27-14-25-19-20(22)23-13-24-21(19)27/h2-10,13-14H,11-12H2,1H3,(H2,22,23,24)
InChIKeyOHWPZPCHQDJYAX-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.25
Rot. Bonds6

About 3-(6-aminopurin-9-yl)-N-methyl-N-(4-phenoxyphenyl)propanamide

3-(6-aminopurin-9-yl)-N-methyl-N-(4-phenoxyphenyl)propanamide (PubChem CID 167981929) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-(6-aminopurin-9-yl)-N-methyl-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(6-aminopurin-9-yl)-N-methyl-N-(4-phenoxyphenyl)propanamide
PubChem CID167981929
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name3-(6-aminopurin-9-yl)-N-methyl-N-(4-phenoxyphenyl)propanamide
SMILESCN(C(=O)CCn1cnc2c(N)ncnc21)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H20N6O2/c1-26(15-7-9-17(10-8-15)29-16-5-3-2-4-6-16)18(28)11-12-27-14-25-19-20(22)23-13-24-21(19)27/h2-10,13-14H,11-12H2,1H3,(H2,22,23,24)
InChIKeyOHWPZPCHQDJYAX-UHFFFAOYSA-N
XLogP3.25
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(6-aminopurin-9-yl)-N-methyl-N-(4-phenoxyphenyl)propanamide 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

3-(6-aminopurin-9-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 146107577
N-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 86869517
9-[3-[4-[1-[4-[3-(6-aminopurin-9-yl)propoxy]phenyl]-2,2-diphenylethenyl]phenoxy]propyl]purin-6-amine
CID 102026182
9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride
CID 126459868
N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide
CID 2755806
N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]phenyl]-N-methylpentanamide
CID 121403070
[2-hydroxy-3-(2-methoxyphenoxy)propyl] 3-(6-aminopurin-9-yl)propanoate
CID 102282861
9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine
CID 134309612
9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
CID 88596334
4-(6-aminopurin-9-yl)-N-methylbutanamide
CID 63891255
[4-[4-(6-aminopurin-9-yl)butoxy]phenyl]methylphosphonic acid
CID 46185962
(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
CID 15518562

Frequently Asked Questions

What is the IUPAC name of 3-(6-aminopurin-9-yl)-N-methyl-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 3-(6-aminopurin-9-yl)-N-methyl-N-(4-phenoxyphenyl)propanamide (CID 167981929) is 3-(6-aminopurin-9-yl)-N-methyl-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(6-aminopurin-9-yl)-N-methyl-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(6-aminopurin-9-yl)-N-methyl-N-(4-phenoxyphenyl)propanamide is CN(C(=O)CCn1cnc2c(N)ncnc21)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-(6-aminopurin-9-yl)-N-methyl-N-(4-phenoxyphenyl)propanamide?
The InChIKey is OHWPZPCHQDJYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-26(15-7-9-17(10-8-15)29-16-5-3-2-4-6-16)18(28)11-12-27-14-25-19-20(22)23-13-24-21(19)27/h2-10,13-14H,11-12H2,1H3,(H2,22,23,24).
What are the key properties of 3-(6-aminopurin-9-yl)-N-methyl-N-(4-phenoxyphenyl)propanamide?
3-(6-aminopurin-9-yl)-N-methyl-N-(4-phenoxyphenyl)propanamide has a molecular weight of 388.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminopurin-9-yl)-N-methyl-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 167981929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).