1-(6-aminopurin-9-yl)cyclopentan-1-ol

C10H13N5O — CID 140969390

IUPAC1-(6-aminopurin-9-yl)cyclopentan-1-ol
SMILESNc1ncnc2c1ncn2C1(O)CCCC1
InChIInChI=1S/C10H13N5O/c11-8-7-9(13-5-12-8)15(6-14-7)10(16)3-1-2-4-10/h5-6,16H,1-4H2,(H2,11,12,13)
InChIKeyQKZVMNFYFHWTDB-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.63
Rot. Bonds1

About 1-(6-aminopurin-9-yl)cyclopentan-1-ol

1-(6-aminopurin-9-yl)cyclopentan-1-ol (PubChem CID 140969390) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-(6-aminopurin-9-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(6-aminopurin-9-yl)cyclopentan-1-ol
PubChem CID140969390
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-(6-aminopurin-9-yl)cyclopentan-1-ol
SMILESNc1ncnc2c1ncn2C1(O)CCCC1
InChIInChI=1S/C10H13N5O/c11-8-7-9(13-5-12-8)15(6-14-7)10(16)3-1-2-4-10/h5-6,16H,1-4H2,(H2,11,12,13)
InChIKeyQKZVMNFYFHWTDB-UHFFFAOYSA-N
XLogP0.63
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol
CID 129285347
1-(6-aminopurin-9-yl)-5-(fluoromethylidene)cyclopentane-1,2-diol
CID 70384732
(2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol
CID 67235799
9-(1-oxo-3-oxa-1λ5-phosphabicyclo[2.1.0]pentan-4-yl)purin-6-amine
CID 118952562
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 126731683
(2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol
CID 11737444
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 69298327
(2R,3R,4S,5S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 67217085
(2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol
CID 145088486
(2R,3R,4R,5R)-2-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxane-3,4,5-triol
CID 139896147
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 68646354
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-[[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-chloromethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 154422167

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopurin-9-yl)cyclopentan-1-ol?
The IUPAC name of 1-(6-aminopurin-9-yl)cyclopentan-1-ol (CID 140969390) is 1-(6-aminopurin-9-yl)cyclopentan-1-ol.
What is the SMILES notation for 1-(6-aminopurin-9-yl)cyclopentan-1-ol?
The canonical SMILES for 1-(6-aminopurin-9-yl)cyclopentan-1-ol is Nc1ncnc2c1ncn2C1(O)CCCC1.
What is the InChIKey of 1-(6-aminopurin-9-yl)cyclopentan-1-ol?
The InChIKey is QKZVMNFYFHWTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-8-7-9(13-5-12-8)15(6-14-7)10(16)3-1-2-4-10/h5-6,16H,1-4H2,(H2,11,12,13).
What are the key properties of 1-(6-aminopurin-9-yl)cyclopentan-1-ol?
1-(6-aminopurin-9-yl)cyclopentan-1-ol has a molecular weight of 219.25 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopurin-9-yl)cyclopentan-1-ol is sourced from PubChem (CID 140969390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).