1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one

C13H19N7O — CID 166212074

IUPAC1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2nc(N)nc3nc[nH]c23)CC1
InChIInChI=1S/C13H19N7O/c1-8(2)12(21)20-5-3-19(4-6-20)11-9-10(16-7-15-9)17-13(14)18-11/h7-8H,3-6H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyZQUNTPLODYDMPM-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.24
Rot. Bonds2

About 1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 166212074) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID166212074
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2nc(N)nc3nc[nH]c23)CC1
InChIInChI=1S/C13H19N7O/c1-8(2)12(21)20-5-3-19(4-6-20)11-9-10(16-7-15-9)17-13(14)18-11/h7-8H,3-6H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyZQUNTPLODYDMPM-UHFFFAOYSA-N
XLogP0.24
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
CID 115669377
[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-phenylmethanone
CID 39046359
4-(2-amino-7H-purin-6-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 18465298
1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
CID 104623816
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737
1-(2-amino-7H-purin-6-yl)piperidine-3-carboxamide
CID 115669348
N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide
CID 72881722
1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol
CID 114749498
6-(3,6-dihydro-2H-pyridin-1-yl)-7H-purin-2-amine
CID 104623927
1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 70763853
6-(3-methoxypyrrolidin-1-yl)-7H-purin-2-amine
CID 103541736

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one (CID 166212074) is 1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(c2nc(N)nc3nc[nH]c23)CC1.
What is the InChIKey of 1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is ZQUNTPLODYDMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-8(2)12(21)20-5-3-19(4-6-20)11-9-10(16-7-15-9)17-13(14)18-11/h7-8H,3-6H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 289.34 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 166212074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).