6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine

C24H27N7O — CID 117091551

IUPAC6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine
SMILESc1ccc(CNc2nc(NCCN3CCOCC3)nc3c2ncn3-c2ccccc2)cc1
InChIInChI=1S/C24H27N7O/c1-3-7-19(8-4-1)17-26-22-21-23(31(18-27-21)20-9-5-2-6-10-20)29-24(28-22)25-11-12-30-13-15-32-16-14-30/h1-10,18H,11-17H2,(H2,25,26,28,29)
InChIKeyLIFLJAJBKRVDFA-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.17
Rot. Bonds8

About 6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine

6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine (PubChem CID 117091551) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine
PubChem CID117091551
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine
SMILESc1ccc(CNc2nc(NCCN3CCOCC3)nc3c2ncn3-c2ccccc2)cc1
InChIInChI=1S/C24H27N7O/c1-3-7-19(8-4-1)17-26-22-21-23(31(18-27-21)20-9-5-2-6-10-20)29-24(28-22)25-11-12-30-13-15-32-16-14-30/h1-10,18H,11-17H2,(H2,25,26,28,29)
InChIKeyLIFLJAJBKRVDFA-UHFFFAOYSA-N
XLogP3.17
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine
CID 117091533
2-N-[3-(dimethylamino)phenyl]-6-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine
CID 117086163
6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117080592
N-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine
CID 44726219
N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine
CID 117089203
[4-[[2-(3-morpholin-4-ylpropylamino)-9-phenylpurin-6-yl]amino]phenyl]-piperidin-1-ylmethanone
CID 24762175
6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine
CID 117083688
6-N-(2-morpholin-4-ylethyl)-9-thiophen-3-yl-2-N-[4-(trifluoromethyl)phenyl]purine-2,6-diamine
CID 117080037
1-[3-[6-(benzylamino)-2-[4-(2-morpholin-4-ylethylamino)anilino]purin-9-yl]piperidin-1-yl]prop-2-en-1-one
CID 144937279
2-N-(4-morpholin-4-ylphenyl)-6-N-(2-phenoxyethyl)-9-phenylpurine-2,6-diamine
CID 117089790
1-[3-[[9-phenyl-2-(pyridin-3-ylmethylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117092103
9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117080067

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine?
The IUPAC name of 6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine (CID 117091551) is 6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine.
What is the SMILES notation for 6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine?
The canonical SMILES for 6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine is c1ccc(CNc2nc(NCCN3CCOCC3)nc3c2ncn3-c2ccccc2)cc1.
What is the InChIKey of 6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine?
The InChIKey is LIFLJAJBKRVDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-3-7-19(8-4-1)17-26-22-21-23(31(18-27-21)20-9-5-2-6-10-20)29-24(28-22)25-11-12-30-13-15-32-16-14-30/h1-10,18H,11-17H2,(H2,25,26,28,29).
What are the key properties of 6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine?
6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine has a molecular weight of 429.53 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine is sourced from PubChem (CID 117091551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).