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

C21H22N6O — CID 141410278

IUPAC9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine
SMILESNc1nc(NCc2ccc(-c3ccoc3)cc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C21H22N6O/c22-21-25-19(18-20(26-21)27(13-24-18)17-3-1-2-4-17)23-11-14-5-7-15(8-6-14)16-9-10-28-12-16/h5-10,12-13,17H,1-4,11H2,(H3,22,23,25,26)
InChIKeyOZFVQNVGSRHKLX-UHFFFAOYSA-N
MW374.45 g/mol
LogP4.40
Rot. Bonds5

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

9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine (PubChem CID 141410278) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine.

Molecular Properties

Compound Name9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine
PubChem CID141410278
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine
SMILESNc1nc(NCc2ccc(-c3ccoc3)cc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C21H22N6O/c22-21-25-19(18-20(26-21)27(13-24-18)17-3-1-2-4-17)23-11-14-5-7-15(8-6-14)16-9-10-28-12-16/h5-10,12-13,17H,1-4,11H2,(H3,22,23,25,26)
InChIKeyOZFVQNVGSRHKLX-UHFFFAOYSA-N
XLogP4.40
TPSA94.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(3-aminopropyl)-9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine
CID 154441598
9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine
CID 90333026
4-[[9-cyclopentyl-6-[[4-(furan-3-yl)phenyl]methylamino]purin-2-yl]amino]-2-methylbutan-2-ol
CID 90332900
9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine
CID 90332579
9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine
CID 57147797
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
N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine
CID 118671240
2-chloro-9-cyclopentyl-N-[(4-methoxyphenyl)methyl]purin-6-amine
CID 18001903
4-[4-[[[2-(2-aminopropyl)-9-cyclopentylpurin-6-yl]amino]methyl]phenyl]benzoic acid
CID 118590011
2-N-(4-aminocyclohexyl)-6-N-[(4-chlorophenyl)methyl]-9-cyclopentylpurine-2,6-diamine
CID 18473431
9-cyclobutyl-2-N,6-N-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine
CID 11762052

Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine?
The IUPAC name of 9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine (CID 141410278) is 9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine.
What is the SMILES notation for 9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine?
The canonical SMILES for 9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine is Nc1nc(NCc2ccc(-c3ccoc3)cc2)c2ncn(C3CCCC3)c2n1.
What is the InChIKey of 9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine?
The InChIKey is OZFVQNVGSRHKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c22-21-25-19(18-20(26-21)27(13-24-18)17-3-1-2-4-17)23-11-14-5-7-15(8-6-14)16-9-10-28-12-16/h5-10,12-13,17H,1-4,11H2,(H3,22,23,25,26).
What are the key properties of 9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine?
9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine has a molecular weight of 374.45 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine is sourced from PubChem (CID 141410278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).