2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine

C28H34N8O2 — CID 117079543

IUPAC2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(Nc3ccc(N4CCOCC4)cc3)nc(Nc3ccc(N4CCOCC4)cc3)nc21
InChIInChI=1S/C28H34N8O2/c1-20(2)36-19-29-25-26(30-21-3-7-23(8-4-21)34-11-15-37-16-12-34)32-28(33-27(25)36)31-22-5-9-24(10-6-22)35-13-17-38-18-14-35/h3-10,19-20H,11-18H2,1-2H3,(H2,30,31,32,33)
InChIKeyRFRJCZYARDICPX-UHFFFAOYSA-N
MW514.63 g/mol
LogP4.57
Rot. Bonds7

About 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine

2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine (PubChem CID 117079543) has the molecular formula C28H34N8O2 and a molecular weight of 514.63 g/mol. Its IUPAC name is 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
PubChem CID117079543
Molecular FormulaC28H34N8O2
Molecular Weight514.63 g/mol
Exact Mass514.28
IUPAC Name2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(Nc3ccc(N4CCOCC4)cc3)nc(Nc3ccc(N4CCOCC4)cc3)nc21
InChIInChI=1S/C28H34N8O2/c1-20(2)36-19-29-25-26(30-21-3-7-23(8-4-21)34-11-15-37-16-12-34)32-28(33-27(25)36)31-22-5-9-24(10-6-22)35-13-17-38-18-14-35/h3-10,19-20H,11-18H2,1-2H3,(H2,30,31,32,33)
InChIKeyRFRJCZYARDICPX-UHFFFAOYSA-N
XLogP4.57
TPSA92.60 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-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-(4-morpholin-4-ylphenyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117082186
2-N-(4-morpholin-4-ylphenyl)-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117081196
2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
CID 117082508
4-[[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol
CID 117081628
1-[3-[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]phenyl]ethanone
CID 117083990
6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyridin-4-ylpurine-2,6-diamine
CID 117091293
N-[4-[[9-cyclohexyl-2-(4-morpholin-4-ylanilino)purin-6-yl]amino]phenyl]acetamide
CID 117086882
6-N-(4-morpholin-4-ylphenyl)-9-phenyl-2-N-(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117092236
6-N-(4-morpholin-4-ylphenyl)-2-N-[4-(trifluoromethyl)phenyl]-9-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117079961
1-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]-9-propan-2-ylpurin-2-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 118073659
6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117080255
2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117086621

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine?
The IUPAC name of 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine (CID 117079543) is 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine?
The canonical SMILES for 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine is CC(C)n1cnc2c(Nc3ccc(N4CCOCC4)cc3)nc(Nc3ccc(N4CCOCC4)cc3)nc21.
What is the InChIKey of 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine?
The InChIKey is RFRJCZYARDICPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O2/c1-20(2)36-19-29-25-26(30-21-3-7-23(8-4-21)34-11-15-37-16-12-34)32-28(33-27(25)36)31-22-5-9-24(10-6-22)35-13-17-38-18-14-35/h3-10,19-20H,11-18H2,1-2H3,(H2,30,31,32,33).
What are the key properties of 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine?
2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine has a molecular weight of 514.63 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine is sourced from PubChem (CID 117079543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).