4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol

C11H13N5O — CID 19047346

IUPAC4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol
SMILESNc1ncnc2c1ncn2C1C=CC(O)CC1
InChIInChI=1S/C11H13N5O/c12-10-9-11(14-5-13-10)16(6-15-9)7-1-3-8(17)4-2-7/h1,3,5-8,17H,2,4H2,(H2,12,13,14)
InChIKeyGNCPDXMLGNLRBC-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.66
Rot. Bonds1

About 4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol

4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol (PubChem CID 19047346) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol
PubChem CID19047346
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol
SMILESNc1ncnc2c1ncn2C1C=CC(O)CC1
InChIInChI=1S/C11H13N5O/c12-10-9-11(14-5-13-10)16(6-15-9)7-1-3-8(17)4-2-7/h1,3,5-8,17H,2,4H2,(H2,12,13,14)
InChIKeyGNCPDXMLGNLRBC-UHFFFAOYSA-N
XLogP0.66
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-cyclopent-2-en-1-ylpurin-6-amine
CID 15673657
(3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol
CID 10752094
(3S,6S)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol
CID 10775981
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile
CID 22985708
9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine
CID 149235601
(1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol
CID 506144
4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol
CID 10999010
9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine
CID 174354464
(1R,2S,3R,7R,7aR)-3-(6-aminopurin-9-yl)-2,3,5,6,7,7a-hexahydro-1H-indene-1,2,7-triol
CID 170342623
2-[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid
CID 20779328
(1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol
CID 57488425

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol?
The IUPAC name of 4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol (CID 19047346) is 4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol is Nc1ncnc2c1ncn2C1C=CC(O)CC1.
What is the InChIKey of 4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol?
The InChIKey is GNCPDXMLGNLRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-10-9-11(14-5-13-10)16(6-15-9)7-1-3-8(17)4-2-7/h1,3,5-8,17H,2,4H2,(H2,12,13,14).
What are the key properties of 4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol?
4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol has a molecular weight of 231.26 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 19047346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).