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

C24H34N8O2 — CID 117082508

IUPAC2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(Nc3ccc(N4CCOCC4)cc3)nc(NCCN3CCOCC3)nc21
InChIInChI=1S/C24H34N8O2/c1-18(2)32-17-26-21-22(27-19-3-5-20(6-4-19)31-11-15-34-16-12-31)28-24(29-23(21)32)25-7-8-30-9-13-33-14-10-30/h3-6,17-18H,7-16H2,1-2H3,(H2,25,27,28,29)
InChIKeyZOXXDCQKVZOJTJ-UHFFFAOYSA-N
MW466.59 g/mol
LogP2.73
Rot. Bonds8

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

2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine (PubChem CID 117082508) has the molecular formula C24H34N8O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
PubChem CID117082508
Molecular FormulaC24H34N8O2
Molecular Weight466.59 g/mol
Exact Mass466.28
IUPAC Name2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(Nc3ccc(N4CCOCC4)cc3)nc(NCCN3CCOCC3)nc21
InChIInChI=1S/C24H34N8O2/c1-18(2)32-17-26-21-22(27-19-3-5-20(6-4-19)31-11-15-34-16-12-31)28-24(29-23(21)32)25-7-8-30-9-13-33-14-10-30/h3-6,17-18H,7-16H2,1-2H3,(H2,25,27,28,29)
InChIKeyZOXXDCQKVZOJTJ-UHFFFAOYSA-N
XLogP2.73
TPSA92.60 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
CID 117079543
6-N-(4-morpholin-4-ylphenyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117082186
6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyridin-4-ylpurine-2,6-diamine
CID 117091293
9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine
CID 117092719
1-[2-[6-(4-morpholin-4-ylanilino)-2-(2-morpholin-4-ylethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117083487
6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117091753
4-[[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol
CID 117081628
2-N-(4-morpholin-4-ylphenyl)-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117081196
6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117080592
1-[3-[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]phenyl]ethanone
CID 117083990
2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117086621
6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine
CID 117091551

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine?
The IUPAC name of 2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine (CID 117082508) is 2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine.
What is the SMILES notation for 2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine?
The canonical SMILES for 2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine is CC(C)n1cnc2c(Nc3ccc(N4CCOCC4)cc3)nc(NCCN3CCOCC3)nc21.
What is the InChIKey of 2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine?
The InChIKey is ZOXXDCQKVZOJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8O2/c1-18(2)32-17-26-21-22(27-19-3-5-20(6-4-19)31-11-15-34-16-12-31)28-24(29-23(21)32)25-7-8-30-9-13-33-14-10-30/h3-6,17-18H,7-16H2,1-2H3,(H2,25,27,28,29).
What are the key properties of 2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine?
2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine has a molecular weight of 466.59 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine is sourced from PubChem (CID 117082508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).