2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine

C24H29N7O — CID 154441598

IUPAC2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine
SMILESNCCCNc1nc(NCc2ccc(-c3ccoc3)cc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C24H29N7O/c25-11-3-12-26-24-29-22(21-23(30-24)31(16-28-21)20-4-1-2-5-20)27-14-17-6-8-18(9-7-17)19-10-13-32-15-19/h6-10,13,15-16,20H,1-5,11-12,14,25H2,(H2,26,27,29,30)
InChIKeyPXFFVZIXMODHNS-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.57
Rot. Bonds9

About 2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine

2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine (PubChem CID 154441598) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine.

Molecular Properties

Compound Name2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine
PubChem CID154441598
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine
SMILESNCCCNc1nc(NCc2ccc(-c3ccoc3)cc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C24H29N7O/c25-11-3-12-26-24-29-22(21-23(30-24)31(16-28-21)20-4-1-2-5-20)27-14-17-6-8-18(9-7-17)19-10-13-32-15-19/h6-10,13,15-16,20H,1-5,11-12,14,25H2,(H2,26,27,29,30)
InChIKeyPXFFVZIXMODHNS-UHFFFAOYSA-N
XLogP4.57
TPSA106.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-[[9-cyclopentyl-6-[[4-(furan-3-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylbutan-2-ol
CID 90332900
9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine
CID 141410278
9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine
CID 90333026
9-cyclobutyl-2-N,6-N-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine
CID 11762052
3-[[9-cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol
CID 129068397
2-N-(4-aminocyclohexyl)-6-N-[(4-chlorophenyl)methyl]-9-cyclopentylpurine-2,6-diamine
CID 18473431
6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine
CID 59552324
2-N-(3-aminopropyl)-6-N-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine;ethanamine;ethane
CID 142220807
3-[[9-cyclopentyl-6-[[6-(3-fluorophenyl)-3-pyridinyl]methylamino]purin-2-yl]amino]propan-1-ol
CID 118589979
9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine
CID 90332579
2-N-(2-aminocyclohexyl)-9-cyclopentyl-6-N-[[4-(3-fluorophenyl)phenyl]methyl]purine-2,6-diamine
CID 154065177
[4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 151387867

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine?
The IUPAC name of 2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine (CID 154441598) is 2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine.
What is the SMILES notation for 2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine?
The canonical SMILES for 2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine is NCCCNc1nc(NCc2ccc(-c3ccoc3)cc2)c2ncn(C3CCCC3)c2n1.
What is the InChIKey of 2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine?
The InChIKey is PXFFVZIXMODHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c25-11-3-12-26-24-29-22(21-23(30-24)31(16-28-21)20-4-1-2-5-20)27-14-17-6-8-18(9-7-17)19-10-13-32-15-19/h6-10,13,15-16,20H,1-5,11-12,14,25H2,(H2,26,27,29,30).
What are the key properties of 2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine?
2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine has a molecular weight of 431.54 g/mol, XLogP of 4.57, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine is sourced from PubChem (CID 154441598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).