N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide

C17H18N6O — CID 94646151

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC(=O)N[C@H]1CCc2ccccc21)c1ncnc2nc[nH]c12
InChIInChI=1S/C17H18N6O/c1-23(17-15-16(19-9-18-15)20-10-21-17)8-14(24)22-13-7-6-11-4-2-3-5-12(11)13/h2-5,9-10,13H,6-8H2,1H3,(H,22,24)(H,18,19,20,21)/t13-/m0/s1
InChIKeyXZBPCVCBUSPWNG-ZDUSSCGKSA-N
MW322.37 g/mol
LogP1.59
Rot. Bonds4

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide (PubChem CID 94646151) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
PubChem CID94646151
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC(=O)N[C@H]1CCc2ccccc21)c1ncnc2nc[nH]c12
InChIInChI=1S/C17H18N6O/c1-23(17-15-16(19-9-18-15)20-10-21-17)8-14(24)22-13-7-6-11-4-2-3-5-12(11)13/h2-5,9-10,13H,6-8H2,1H3,(H,22,24)(H,18,19,20,21)/t13-/m0/s1
InChIKeyXZBPCVCBUSPWNG-ZDUSSCGKSA-N
XLogP1.59
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 94646818
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 94646796
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51092559
N-methyl-4-[[2-[methyl(7H-purin-6-yl)amino]acetyl]amino]cyclohexane-1-carboxamide
CID 75480091
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 75466648
2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
CID 97212185
N-(2-benzylsulfanylethyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51113708
2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide
CID 154878424
N-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51089042
N-cyclopropyl-2-[methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]amino]acetamide
CID 9053146
N-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75466655
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8712235

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide (CID 94646151) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide is CN(CC(=O)N[C@H]1CCc2ccccc21)c1ncnc2nc[nH]c12.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The InChIKey is XZBPCVCBUSPWNG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N6O/c1-23(17-15-16(19-9-18-15)20-10-21-17)8-14(24)22-13-7-6-11-4-2-3-5-12(11)13/h2-5,9-10,13H,6-8H2,1H3,(H,22,24)(H,18,19,20,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide has a molecular weight of 322.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide is sourced from PubChem (CID 94646151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).