N-benzyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine

C24H28N8 — CID 117080032

IUPACN-benzyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine
SMILESCC(C)n1c(N2CCN(c3ccccn3)CC2)nc2c(NCc3ccccc3)ncnc21
InChIInChI=1S/C24H28N8/c1-18(2)32-23-21(22(27-17-28-23)26-16-19-8-4-3-5-9-19)29-24(32)31-14-12-30(13-15-31)20-10-6-7-11-25-20/h3-11,17-18H,12-16H2,1-2H3,(H,26,27,28)
InChIKeyIURDYFMFBHGVEZ-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.74
Rot. Bonds6

About N-benzyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine

N-benzyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine (PubChem CID 117080032) has the molecular formula C24H28N8 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-benzyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine.

Molecular Properties

Compound NameN-benzyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine
PubChem CID117080032
Molecular FormulaC24H28N8
Molecular Weight428.54 g/mol
Exact Mass428.24
IUPAC NameN-benzyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine
SMILESCC(C)n1c(N2CCN(c3ccccn3)CC2)nc2c(NCc3ccccc3)ncnc21
InChIInChI=1S/C24H28N8/c1-18(2)32-23-21(22(27-17-28-23)26-16-19-8-4-3-5-9-19)29-24(32)31-14-12-30(13-15-31)20-10-6-7-11-25-20/h3-11,17-18H,12-16H2,1-2H3,(H,26,27,28)
InChIKeyIURDYFMFBHGVEZ-UHFFFAOYSA-N
XLogP3.74
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-benzyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine with MolForge

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Related Compounds

N-phenyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine
CID 117082889
6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine
CID 117078939
N-benzyl-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 23488217
N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112871532
N-[(4-methylphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112890443
8-N-phenyl-9-propan-2-yl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-6,8-diamine
CID 117093011
[2-(benzylamino)-6-methylpyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109327103
N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 62423144
N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 26316419
N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine
CID 66452314
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
N-benzyl-9-[6-[(4-methylphenyl)methylamino]purin-9-yl]purin-6-amine
CID 66780721

Frequently Asked Questions

What is the IUPAC name of N-benzyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine?
The IUPAC name of N-benzyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine (CID 117080032) is N-benzyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine.
What is the SMILES notation for N-benzyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine?
The canonical SMILES for N-benzyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine is CC(C)n1c(N2CCN(c3ccccn3)CC2)nc2c(NCc3ccccc3)ncnc21.
What is the InChIKey of N-benzyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine?
The InChIKey is IURDYFMFBHGVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8/c1-18(2)32-23-21(22(27-17-28-23)26-16-19-8-4-3-5-9-19)29-24(32)31-14-12-30(13-15-31)20-10-6-7-11-25-20/h3-11,17-18H,12-16H2,1-2H3,(H,26,27,28).
What are the key properties of N-benzyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine?
N-benzyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine has a molecular weight of 428.54 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine is sourced from PubChem (CID 117080032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).