9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine

C27H38N8O2 — CID 117092719

IUPAC9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine
SMILESc1cc(N2CCOCC2)ccc1Nc1nc(NCCN2CCOCC2)nc2c1ncn2C1CCCCC1
InChIInChI=1S/C27H38N8O2/c1-2-4-23(5-3-1)35-20-29-24-25(30-21-6-8-22(9-7-21)34-14-18-37-19-15-34)31-27(32-26(24)35)28-10-11-33-12-16-36-17-13-33/h6-9,20,23H,1-5,10-19H2,(H2,28,30,31,32)
InChIKeyNIUBFQNGPKMNIB-UHFFFAOYSA-N
MW506.66 g/mol
LogP3.66
Rot. Bonds8

About 9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine

9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine (PubChem CID 117092719) has the molecular formula C27H38N8O2 and a molecular weight of 506.66 g/mol. Its IUPAC name is 9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine.

Molecular Properties

Compound Name9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine
PubChem CID117092719
Molecular FormulaC27H38N8O2
Molecular Weight506.66 g/mol
Exact Mass506.31
IUPAC Name9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine
SMILESc1cc(N2CCOCC2)ccc1Nc1nc(NCCN2CCOCC2)nc2c1ncn2C1CCCCC1
InChIInChI=1S/C27H38N8O2/c1-2-4-23(5-3-1)35-20-29-24-25(30-21-6-8-22(9-7-21)34-14-18-37-19-15-34)31-27(32-26(24)35)28-10-11-33-12-16-36-17-13-33/h6-9,20,23H,1-5,10-19H2,(H2,28,30,31,32)
InChIKeyNIUBFQNGPKMNIB-UHFFFAOYSA-N
XLogP3.66
TPSA92.60 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.66
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine with MolForge

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Related Compounds

2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
CID 117082508
N-[4-[[9-cyclohexyl-2-(4-morpholin-4-ylanilino)purin-6-yl]amino]phenyl]acetamide
CID 117086882
1-[2-[6-(4-morpholin-4-ylanilino)-2-(2-morpholin-4-ylethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117083487
9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine
CID 117084130
9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine
CID 117085834
2-[3-[[9-cyclopentyl-6-[4-(morpholin-4-ylmethyl)anilino]purin-2-yl]amino]propyl]guanidine
CID 151352382
9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine
CID 117085252
6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine
CID 117089964
2-[5-[[9-cyclopentyl-6-[4-(morpholin-4-ylmethyl)anilino]purin-2-yl]amino]pentyl]guanidine
CID 150356248
[4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 151387867
4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea
CID 162511206
1-[3-[6-(benzylamino)-2-[4-(2-morpholin-4-ylethylamino)anilino]purin-9-yl]piperidin-1-yl]prop-2-en-1-one
CID 144937279

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine?
The IUPAC name of 9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine (CID 117092719) is 9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine.
What is the SMILES notation for 9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine?
The canonical SMILES for 9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine is c1cc(N2CCOCC2)ccc1Nc1nc(NCCN2CCOCC2)nc2c1ncn2C1CCCCC1.
What is the InChIKey of 9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine?
The InChIKey is NIUBFQNGPKMNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N8O2/c1-2-4-23(5-3-1)35-20-29-24-25(30-21-6-8-22(9-7-21)34-14-18-37-19-15-34)31-27(32-26(24)35)28-10-11-33-12-16-36-17-13-33/h6-9,20,23H,1-5,10-19H2,(H2,28,30,31,32).
What are the key properties of 9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine?
9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine has a molecular weight of 506.66 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine is sourced from PubChem (CID 117092719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).