2-(6-methylsulfanylpurin-9-yl)cyclohexan-1-ol

C12H16N4OS — CID 121012650

IUPAC2-(6-methylsulfanylpurin-9-yl)cyclohexan-1-ol
SMILESCSc1ncnc2c1ncn2C1CCCCC1O
InChIInChI=1S/C12H16N4OS/c1-18-12-10-11(13-6-14-12)16(7-15-10)8-4-2-3-5-9(8)17/h6-9,17H,2-5H2,1H3
InChIKeyFAXITELZKVUOTD-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.02
Rot. Bonds2

About 2-(6-methylsulfanylpurin-9-yl)cyclohexan-1-ol

2-(6-methylsulfanylpurin-9-yl)cyclohexan-1-ol (PubChem CID 121012650) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(6-methylsulfanylpurin-9-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(6-methylsulfanylpurin-9-yl)cyclohexan-1-ol
PubChem CID121012650
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-(6-methylsulfanylpurin-9-yl)cyclohexan-1-ol
SMILESCSc1ncnc2c1ncn2C1CCCCC1O
InChIInChI=1S/C12H16N4OS/c1-18-12-10-11(13-6-14-12)16(7-15-10)8-4-2-3-5-9(8)17/h6-9,17H,2-5H2,1H3
InChIKeyFAXITELZKVUOTD-UHFFFAOYSA-N
XLogP2.02
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4R,5R)-2-ethyl-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol
CID 170220632
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol
CID 7076679
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol;hydrate
CID 21118760
(2R,3S,5R,6S)-3-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)-1,4-dioxane-2,6-diol
CID 3246389
2-purin-9-ylcyclohexan-1-ol
CID 517723
9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one
CID 135431287
[(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-cyclopentylmethanone
CID 110126716
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
2-amino-9-[(1R,2R)-2-hydroxycycloheptyl]-1H-purin-6-one
CID 135439454
trans-(1R,2R)-2-(4,5-dimethylimidazol-1-yl)cyclopentan-1-ol
CID 102735138
3-[hydroxy-(6-methylsulfanylpurin-9-yl)methoxy]propan-1-ol
CID 19791418
2-[6-(cyclopentylamino)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol
CID 14836036

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylsulfanylpurin-9-yl)cyclohexan-1-ol?
The IUPAC name of 2-(6-methylsulfanylpurin-9-yl)cyclohexan-1-ol (CID 121012650) is 2-(6-methylsulfanylpurin-9-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(6-methylsulfanylpurin-9-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(6-methylsulfanylpurin-9-yl)cyclohexan-1-ol is CSc1ncnc2c1ncn2C1CCCCC1O.
What is the InChIKey of 2-(6-methylsulfanylpurin-9-yl)cyclohexan-1-ol?
The InChIKey is FAXITELZKVUOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-18-12-10-11(13-6-14-12)16(7-15-10)8-4-2-3-5-9(8)17/h6-9,17H,2-5H2,1H3.
What are the key properties of 2-(6-methylsulfanylpurin-9-yl)cyclohexan-1-ol?
2-(6-methylsulfanylpurin-9-yl)cyclohexan-1-ol has a molecular weight of 264.35 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylsulfanylpurin-9-yl)cyclohexan-1-ol is sourced from PubChem (CID 121012650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).