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

C17H24N6O — CID 124733304

IUPACN-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC(=O)N[C@@H]1C[C@H]1C1CCCCC1)c1ncnc2nc[nH]c12
InChIInChI=1S/C17H24N6O/c1-23(17-15-16(19-9-18-15)20-10-21-17)8-14(24)22-13-7-12(13)11-5-3-2-4-6-11/h9-13H,2-8H2,1H3,(H,22,24)(H,18,19,20,21)/t12-,13+/m0/s1
InChIKeyKSIGPYDQBNHWPM-QWHCGFSZSA-N
MW328.42 g/mol
LogP1.87
Rot. Bonds5

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

N-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide (PubChem CID 124733304) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
PubChem CID124733304
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC(=O)N[C@@H]1C[C@H]1C1CCCCC1)c1ncnc2nc[nH]c12
InChIInChI=1S/C17H24N6O/c1-23(17-15-16(19-9-18-15)20-10-21-17)8-14(24)22-13-7-12(13)11-5-3-2-4-6-11/h9-13H,2-8H2,1H3,(H,22,24)(H,18,19,20,21)/t12-,13+/m0/s1
InChIKeyKSIGPYDQBNHWPM-QWHCGFSZSA-N
XLogP1.87
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124733305
N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119621339
N-methyl-4-[[2-[methyl(7H-purin-6-yl)amino]acetyl]amino]cyclohexane-1-carboxamide
CID 75480091
N-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51077841
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 94646151
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124627986
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-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 154748178
2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide
CID 167835478
2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
CID 97212185

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The IUPAC name of N-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide (CID 124733304) is N-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide.
What is the SMILES notation for N-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The canonical SMILES for N-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide is CN(CC(=O)N[C@@H]1C[C@H]1C1CCCCC1)c1ncnc2nc[nH]c12.
What is the InChIKey of N-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The InChIKey is KSIGPYDQBNHWPM-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H24N6O/c1-23(17-15-16(19-9-18-15)20-10-21-17)8-14(24)22-13-7-12(13)11-5-3-2-4-6-11/h9-13H,2-8H2,1H3,(H,22,24)(H,18,19,20,21)/t12-,13+/m0/s1.
What are the key properties of N-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
N-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide is sourced from PubChem (CID 124733304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).