2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide

C18H20N6O — CID 97212185

IUPAC2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
SMILESCN(CC(=O)NC[C@H]1C[C@@H]1c1ccccc1)c1ncnc2nc[nH]c12
InChIInChI=1S/C18H20N6O/c1-24(18-16-17(21-10-20-16)22-11-23-18)9-15(25)19-8-13-7-14(13)12-5-3-2-4-6-12/h2-6,10-11,13-14H,7-9H2,1H3,(H,19,25)(H,20,21,22,23)/t13-,14-/m1/s1
InChIKeyBENDXVACJASCSK-ZIAGYGMSSA-N
MW336.40 g/mol
LogP1.71
Rot. Bonds6

About 2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide

2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide (PubChem CID 97212185) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
PubChem CID97212185
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
SMILESCN(CC(=O)NC[C@H]1C[C@@H]1c1ccccc1)c1ncnc2nc[nH]c12
InChIInChI=1S/C18H20N6O/c1-24(18-16-17(21-10-20-16)22-11-23-18)9-15(25)19-8-13-7-14(13)12-5-3-2-4-6-12/h2-6,10-11,13-14H,7-9H2,1H3,(H,19,25)(H,20,21,22,23)/t13-,14-/m1/s1
InChIKeyBENDXVACJASCSK-ZIAGYGMSSA-N
XLogP1.71
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]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

1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone;dihydrochloride
CID 120749357
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124627986
N-(2-benzylsulfanylethyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51113708
N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 154748178
N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119621339
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 94646151
2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide
CID 167835478
N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119643710
N-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124733304
N-[(1S,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124733305
N-[2-(3-methoxyphenyl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479729
N-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75466655

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide?
The IUPAC name of 2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide (CID 97212185) is 2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide?
The canonical SMILES for 2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide is CN(CC(=O)NC[C@H]1C[C@@H]1c1ccccc1)c1ncnc2nc[nH]c12.
What is the InChIKey of 2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide?
The InChIKey is BENDXVACJASCSK-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H20N6O/c1-24(18-16-17(21-10-20-16)22-11-23-18)9-15(25)19-8-13-7-14(13)12-5-3-2-4-6-12/h2-6,10-11,13-14H,7-9H2,1H3,(H,19,25)(H,20,21,22,23)/t13-,14-/m1/s1.
What are the key properties of 2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide?
2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide is sourced from PubChem (CID 97212185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).