2-(6-aminopurin-9-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one

C17H20N8O — CID 154783795

IUPAC2-(6-aminopurin-9-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(c2ccncc2)CC1)n1cnc2c(N)ncnc21
InChIInChI=1S/C17H20N8O/c1-12(25-11-22-14-15(18)20-10-21-16(14)25)17(26)24-8-6-23(7-9-24)13-2-4-19-5-3-13/h2-5,10-12H,6-9H2,1H3,(H2,18,20,21)
InChIKeyFNXLYSUDLXCICA-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.71
Rot. Bonds3

About 2-(6-aminopurin-9-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one

2-(6-aminopurin-9-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one (PubChem CID 154783795) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
PubChem CID154783795
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name2-(6-aminopurin-9-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(c2ccncc2)CC1)n1cnc2c(N)ncnc21
InChIInChI=1S/C17H20N8O/c1-12(25-11-22-14-15(18)20-10-21-16(14)25)17(26)24-8-6-23(7-9-24)13-2-4-19-5-3-13/h2-5,10-12H,6-9H2,1H3,(H2,18,20,21)
InChIKeyFNXLYSUDLXCICA-UHFFFAOYSA-N
XLogP0.71
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048920
1-(6-aminopurin-9-yl)ethanone
CID 56662952
2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 110879969
2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide
CID 136553672
1-[4-(4-aminophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 936774
methyl 2-[2-(6-aminopurin-9-yl)propanoylamino]-4,4-dimethylpentanoate
CID 146107744
methyl 4-[4-[2-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]benzoate
CID 70719736
(2S)-2-methyl-3-(1-methylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 129094175
2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868636
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
[1-(6-aminopurin-9-yl)-2-hydroxypropoxy]methyl dihydrogen phosphate
CID 175123312
(2R)-2-amino-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 97341723

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(6-aminopurin-9-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one (CID 154783795) is 2-(6-aminopurin-9-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(6-aminopurin-9-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one is CC(C(=O)N1CCN(c2ccncc2)CC1)n1cnc2c(N)ncnc21.
What is the InChIKey of 2-(6-aminopurin-9-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one?
The InChIKey is FNXLYSUDLXCICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-12(25-11-22-14-15(18)20-10-21-16(14)25)17(26)24-8-6-23(7-9-24)13-2-4-19-5-3-13/h2-5,10-12H,6-9H2,1H3,(H2,18,20,21).
What are the key properties of 2-(6-aminopurin-9-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one?
2-(6-aminopurin-9-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one has a molecular weight of 352.40 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 154783795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).