2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine

C31H33N7 — CID 141146919

IUPAC2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine
SMILESc1ccc(CN2CCC(Nc3nc(NCC(c4ccccc4)c4ccccc4)c4[nH]cnc4n3)CC2)cc1
InChIInChI=1S/C31H33N7/c1-4-10-23(11-5-1)21-38-18-16-26(17-19-38)35-31-36-29(28-30(37-31)34-22-33-28)32-20-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,22,26-27H,16-21H2,(H3,32,33,34,35,36,37)
InChIKeyDKANPEYXTVSPIK-UHFFFAOYSA-N
MW503.65 g/mol
LogP5.67
Rot. Bonds9

About 2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine

2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine (PubChem CID 141146919) has the molecular formula C31H33N7 and a molecular weight of 503.65 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine
PubChem CID141146919
Molecular FormulaC31H33N7
Molecular Weight503.65 g/mol
Exact Mass503.28
IUPAC Name2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine
SMILESc1ccc(CN2CCC(Nc3nc(NCC(c4ccccc4)c4ccccc4)c4[nH]cnc4n3)CC2)cc1
InChIInChI=1S/C31H33N7/c1-4-10-23(11-5-1)21-38-18-16-26(17-19-38)35-31-36-29(28-30(37-31)34-22-33-28)32-20-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,22,26-27H,16-21H2,(H3,32,33,34,35,36,37)
InChIKeyDKANPEYXTVSPIK-UHFFFAOYSA-N
XLogP5.67
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine with MolForge

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Related Compounds

6-N-(1-benzylpiperidin-4-yl)-2-N-pyrazin-2-yl-7H-purine-2,6-diamine
CID 117086660
[1-[6-[(1-benzylpiperidin-4-yl)amino]-7H-purin-2-yl]pyrrolidin-2-yl]methanol
CID 117094465
2-N-(4-aminocyclohexyl)-6-N-[2-(benzylamino)ethyl]-7H-purine-2,6-diamine;hydrochloride
CID 159115587
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
(1R,2S,3R)-3-[2-[(1-benzylpiperidin-4-yl)amino]-6-(2,2-diphenylethylamino)purin-9-yl]-5-[4-(hydroxymethyl)pyrazol-1-yl]cyclopentane-1,2-diol
CID 66736022
N-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine
CID 142057202
2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride
CID 22149693
4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 134107688
2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 113258961
4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol
CID 117089717
1-[[3-[[6-(methylamino)-7H-purin-2-yl]amino]phenyl]methyl]piperidine-4-carboxylic acid
CID 177165542

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine (CID 141146919) is 2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine is c1ccc(CN2CCC(Nc3nc(NCC(c4ccccc4)c4ccccc4)c4[nH]cnc4n3)CC2)cc1.
What is the InChIKey of 2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine?
The InChIKey is DKANPEYXTVSPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N7/c1-4-10-23(11-5-1)21-38-18-16-26(17-19-38)35-31-36-29(28-30(37-31)34-22-33-28)32-20-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,22,26-27H,16-21H2,(H3,32,33,34,35,36,37).
What are the key properties of 2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine?
2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine has a molecular weight of 503.65 g/mol, XLogP of 5.67, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 141146919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).