2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine

C26H31N7 — CID 117079494

IUPAC2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine
SMILESCCCNc1nc(NC2CCN(Cc3ccccc3)CC2)nc2c1ncn2-c1ccccc1
InChIInChI=1S/C26H31N7/c1-2-15-27-24-23-25(33(19-28-23)22-11-7-4-8-12-22)31-26(30-24)29-21-13-16-32(17-14-21)18-20-9-5-3-6-10-20/h3-12,19,21H,2,13-18H2,1H3,(H2,27,29,30,31)
InChIKeyHBMBBZVBEVWSJG-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.71
Rot. Bonds8

About 2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine

2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine (PubChem CID 117079494) has the molecular formula C26H31N7 and a molecular weight of 441.58 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine.

Molecular Properties

Compound Name2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine
PubChem CID117079494
Molecular FormulaC26H31N7
Molecular Weight441.58 g/mol
Exact Mass441.26
IUPAC Name2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine
SMILESCCCNc1nc(NC2CCN(Cc3ccccc3)CC2)nc2c1ncn2-c1ccccc1
InChIInChI=1S/C26H31N7/c1-2-15-27-24-23-25(33(19-28-23)22-11-7-4-8-12-22)31-26(30-24)29-21-13-16-32(17-14-21)18-20-9-5-3-6-10-20/h3-12,19,21H,2,13-18H2,1H3,(H2,27,29,30,31)
InChIKeyHBMBBZVBEVWSJG-UHFFFAOYSA-N
XLogP4.71
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(1-benzylpiperidin-4-yl)-6-N-propyl-9-thiophen-3-ylpurine-2,6-diamine
CID 117079496
4-[2-[[2-[(1-benzylpiperidin-4-yl)amino]-9-phenylpurin-6-yl]amino]ethyl]phenol
CID 117089202
2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine
CID 117091774
2-N-(1-benzylpiperidin-4-yl)-6-N-[2-(4-methoxyphenyl)ethyl]-9-thiophen-3-ylpurine-2,6-diamine
CID 117078951
2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-(1-benzylpiperidin-4-yl)-9-phenylpurine-2,6-diamine
CID 117089965
9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117080414
4-[2-[[2-[(1-benzylpiperidin-4-yl)amino]-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]amino]ethyl]phenol
CID 117084754
2-N-(1-benzylpiperidin-4-yl)-6-N-[[3-(trifluoromethyl)phenyl]methyl]-9-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117092432
6-N-(1-benzylpiperidin-4-yl)-9-thiophen-3-yl-2-N-(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117083348
2-N-(4-aminocyclohexyl)-6-N-[(1-benzylpiperidin-4-yl)methyl]-9-cyclopentylpurine-2,6-diamine
CID 22896358
4-N-(1-benzylpiperidin-4-yl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 113258960
6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine
CID 117091533

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine?
The IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine (CID 117079494) is 2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine.
What is the SMILES notation for 2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine?
The canonical SMILES for 2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine is CCCNc1nc(NC2CCN(Cc3ccccc3)CC2)nc2c1ncn2-c1ccccc1.
What is the InChIKey of 2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine?
The InChIKey is HBMBBZVBEVWSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7/c1-2-15-27-24-23-25(33(19-28-23)22-11-7-4-8-12-22)31-26(30-24)29-21-13-16-32(17-14-21)18-20-9-5-3-6-10-20/h3-12,19,21H,2,13-18H2,1H3,(H2,27,29,30,31).
What are the key properties of 2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine?
2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine has a molecular weight of 441.58 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine is sourced from PubChem (CID 117079494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).