9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine

C25H28N6O2 — CID 90333026

IUPAC9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine
SMILESc1cc(-c2ccc(CNc3nc(N4CCOCC4)nc4c3ncn4C3CCCC3)cc2)co1
InChIInChI=1S/C25H28N6O2/c1-2-4-21(3-1)31-17-27-22-23(28-25(29-24(22)31)30-10-13-32-14-11-30)26-15-18-5-7-19(8-6-18)20-9-12-33-16-20/h5-9,12,16-17,21H,1-4,10-11,13-15H2,(H,26,28,29)
InChIKeyFXAOHQGDOGQATR-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.65
Rot. Bonds6

About 9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine

9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine (PubChem CID 90333026) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine.

Molecular Properties

Compound Name9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine
PubChem CID90333026
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine
SMILESc1cc(-c2ccc(CNc3nc(N4CCOCC4)nc4c3ncn4C3CCCC3)cc2)co1
InChIInChI=1S/C25H28N6O2/c1-2-4-21(3-1)31-17-27-22-23(28-25(29-24(22)31)30-10-13-32-14-11-30)26-15-18-5-7-19(8-6-18)20-9-12-33-16-20/h5-9,12,16-17,21H,1-4,10-11,13-15H2,(H,26,28,29)
InChIKeyFXAOHQGDOGQATR-UHFFFAOYSA-N
XLogP4.65
TPSA81.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine 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

9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine
CID 141410278
9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine
CID 90332579
2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine
CID 154441598
4-[[9-cyclopentyl-6-[[4-(furan-3-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylbutan-2-ol
CID 90332900
9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine
CID 117084130
N-(1H-benzimidazol-2-ylmethyl)-9-cyclopentyl-2-morpholin-4-ylpurin-6-amine
CID 50930765
2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol
CID 118590066
9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine
CID 117085252
2-[2-[4-[6-[[4-(2-aminophenyl)phenyl]methylamino]-9-cyclopentylpurin-2-yl]piperazin-1-yl]ethoxy]ethanol
CID 90332861
2-[2-[4-[9-cyclopentyl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]piperazin-1-yl]ethoxy]ethanol
CID 90332854
N-benzyl-9-cyclopentyl-2-iodopurin-6-amine
CID 6538908
3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol
CID 129068397

Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine?
The IUPAC name of 9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine (CID 90333026) is 9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine.
What is the SMILES notation for 9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine?
The canonical SMILES for 9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine is c1cc(-c2ccc(CNc3nc(N4CCOCC4)nc4c3ncn4C3CCCC3)cc2)co1.
What is the InChIKey of 9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine?
The InChIKey is FXAOHQGDOGQATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-2-4-21(3-1)31-17-27-22-23(28-25(29-24(22)31)30-10-13-32-14-11-30)26-15-18-5-7-19(8-6-18)20-9-12-33-16-20/h5-9,12,16-17,21H,1-4,10-11,13-15H2,(H,26,28,29).
What are the key properties of 9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine?
9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine has a molecular weight of 444.54 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine is sourced from PubChem (CID 90333026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).