[cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol

C16H23N5O — CID 174369638

IUPAC[cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol
SMILESOCN(c1ncnc2c1ncn2C1CCCC1)C1CCCC1
InChIInChI=1S/C16H23N5O/c22-11-21(13-7-3-4-8-13)16-14-15(17-9-18-16)20(10-19-14)12-5-1-2-6-12/h9-10,12-13,22H,1-8,11H2
InChIKeyKLGNVAXJAOKQLZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.64
Rot. Bonds4

About [cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol

[cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol (PubChem CID 174369638) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is [cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol.

Molecular Properties

Compound Name[cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol
PubChem CID174369638
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name[cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol
SMILESOCN(c1ncnc2c1ncn2C1CCCC1)C1CCCC1
InChIInChI=1S/C16H23N5O/c22-11-21(13-7-3-4-8-13)16-14-15(17-9-18-16)20(10-19-14)12-5-1-2-6-12/h9-10,12-13,22H,1-8,11H2
InChIKeyKLGNVAXJAOKQLZ-UHFFFAOYSA-N
XLogP2.64
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

9-cyclopentyl-6-(3,3,3-trifluoropropyl)purine
CID 69254435
9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine
CID 124606574
N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine
CID 44591064
(2R,3R,4S,5R)-2-[6-[(5-chloro-2-methoxyphenyl)methyl-cyclopentylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 22791276
[5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol
CID 71339758
(2R,3R,4S,5R)-2-[6-[cyclohexyl(methyl)amino]purin-9-yl]-5-ethynyloxolane-3,4-diol
CID 87923651
9-cyclopentyl-N-pentylpurin-6-amine
CID 142647479
(2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 67241978
[3-(6-chloropurin-9-yl)cyclobutyl]methanol
CID 14781912
[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol
CID 170064725
2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol
CID 10681944
2-[amino-[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]ethanol
CID 18473413

Frequently Asked Questions

What is the IUPAC name of [cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol?
The IUPAC name of [cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol (CID 174369638) is [cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol.
What is the SMILES notation for [cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol?
The canonical SMILES for [cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol is OCN(c1ncnc2c1ncn2C1CCCC1)C1CCCC1.
What is the InChIKey of [cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol?
The InChIKey is KLGNVAXJAOKQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c22-11-21(13-7-3-4-8-13)16-14-15(17-9-18-16)20(10-19-14)12-5-1-2-6-12/h9-10,12-13,22H,1-8,11H2.
What are the key properties of [cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol?
[cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol has a molecular weight of 301.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol is sourced from PubChem (CID 174369638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).