2-[methyl(7H-purin-6-yl)amino]-1-[(3R)-3-propoxypiperidin-1-yl]ethanone

C16H24N6O2 — CID 94823093

IUPAC2-[methyl(7H-purin-6-yl)amino]-1-[(3R)-3-propoxypiperidin-1-yl]ethanone
SMILESCCCO[C@@H]1CCCN(C(=O)CN(C)c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C16H24N6O2/c1-3-7-24-12-5-4-6-22(8-12)13(23)9-21(2)16-14-15(18-10-17-14)19-11-20-16/h10-12H,3-9H2,1-2H3,(H,17,18,19,20)/t12-/m1/s1
InChIKeyWDUPQLIGGRRAQS-GFCCVEGCSA-N
MW332.41 g/mol
LogP1.21
Rot. Bonds6

About 2-[methyl(7H-purin-6-yl)amino]-1-[(3R)-3-propoxypiperidin-1-yl]ethanone

2-[methyl(7H-purin-6-yl)amino]-1-[(3R)-3-propoxypiperidin-1-yl]ethanone (PubChem CID 94823093) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[methyl(7H-purin-6-yl)amino]-1-[(3R)-3-propoxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[methyl(7H-purin-6-yl)amino]-1-[(3R)-3-propoxypiperidin-1-yl]ethanone
PubChem CID94823093
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name2-[methyl(7H-purin-6-yl)amino]-1-[(3R)-3-propoxypiperidin-1-yl]ethanone
SMILESCCCO[C@@H]1CCCN(C(=O)CN(C)c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C16H24N6O2/c1-3-7-24-12-5-4-6-22(8-12)13(23)9-21(2)16-14-15(18-10-17-14)19-11-20-16/h10-12H,3-9H2,1-2H3,(H,17,18,19,20)/t12-/m1/s1
InChIKeyWDUPQLIGGRRAQS-GFCCVEGCSA-N
XLogP1.21
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 47911056
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 97314495
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 119413297
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone;dihydrochloride
CID 119648151
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 154775389
N-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51077841
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 75466648
1-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 124777152
9-[2-[methyl(7H-purin-6-yl)amino]acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 136534664
2-[methyl(7H-purin-6-yl)amino]-1-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
CID 97313680
N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119621339
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone;dihydrochloride
CID 120749357

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(7H-purin-6-yl)amino]-1-[(3R)-3-propoxypiperidin-1-yl]ethanone?
The IUPAC name of 2-[methyl(7H-purin-6-yl)amino]-1-[(3R)-3-propoxypiperidin-1-yl]ethanone (CID 94823093) is 2-[methyl(7H-purin-6-yl)amino]-1-[(3R)-3-propoxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[methyl(7H-purin-6-yl)amino]-1-[(3R)-3-propoxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-[methyl(7H-purin-6-yl)amino]-1-[(3R)-3-propoxypiperidin-1-yl]ethanone is CCCO[C@@H]1CCCN(C(=O)CN(C)c2ncnc3nc[nH]c23)C1.
What is the InChIKey of 2-[methyl(7H-purin-6-yl)amino]-1-[(3R)-3-propoxypiperidin-1-yl]ethanone?
The InChIKey is WDUPQLIGGRRAQS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-3-7-24-12-5-4-6-22(8-12)13(23)9-21(2)16-14-15(18-10-17-14)19-11-20-16/h10-12H,3-9H2,1-2H3,(H,17,18,19,20)/t12-/m1/s1.
What are the key properties of 2-[methyl(7H-purin-6-yl)amino]-1-[(3R)-3-propoxypiperidin-1-yl]ethanone?
2-[methyl(7H-purin-6-yl)amino]-1-[(3R)-3-propoxypiperidin-1-yl]ethanone has a molecular weight of 332.41 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(7H-purin-6-yl)amino]-1-[(3R)-3-propoxypiperidin-1-yl]ethanone is sourced from PubChem (CID 94823093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).