[3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol

C11H15N5OS — CID 150364719

IUPAC[3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol
SMILESCSc1nc(N)nc2c1ncn2C1CC(CO)C1
InChIInChI=1S/C11H15N5OS/c1-18-10-8-9(14-11(12)15-10)16(5-13-8)7-2-6(3-7)4-17/h5-7,17H,2-4H2,1H3,(H2,12,14,15)
InChIKeyGWLNJVCRMJYVSN-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.07
Rot. Bonds3

About [3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol

[3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol (PubChem CID 150364719) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is [3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol.

Molecular Properties

Compound Name[3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol
PubChem CID150364719
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name[3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol
SMILESCSc1nc(N)nc2c1ncn2C1CC(CO)C1
InChIInChI=1S/C11H15N5OS/c1-18-10-8-9(14-11(12)15-10)16(5-13-8)7-2-6(3-7)4-17/h5-7,17H,2-4H2,1H3,(H2,12,14,15)
InChIKeyGWLNJVCRMJYVSN-UHFFFAOYSA-N
XLogP1.07
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(1S,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 67797601
[4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 19822707
(2R,3S,4S,5R)-2-(2-amino-6-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 54319225
(2R,3S,5R)-5-(2-amino-6-methylsulfanylpurin-9-yl)-2-(hydroxymethyl)-4-methylideneoxolan-3-ol
CID 15172878
(2R,3R,4R,5R)-2-(2-amino-6-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 56658823
(1S,2R,4R)-4-(2-amino-6-prop-2-enylsulfanylpurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
CID 57083073
[(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol
CID 156801983
trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
CID 73050804
9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine
CID 158232421
(2R,3R,4S,5R)-2-(2-amino-6-methylsulfanylpurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol
CID 11674273
cis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine
CID 178035519
[3-(6-chloropurin-9-yl)cyclobutyl]methanol
CID 14781912

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol?
The IUPAC name of [3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol (CID 150364719) is [3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol.
What is the SMILES notation for [3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol?
The canonical SMILES for [3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol is CSc1nc(N)nc2c1ncn2C1CC(CO)C1.
What is the InChIKey of [3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol?
The InChIKey is GWLNJVCRMJYVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-18-10-8-9(14-11(12)15-10)16(5-13-8)7-2-6(3-7)4-17/h5-7,17H,2-4H2,1H3,(H2,12,14,15).
What are the key properties of [3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol?
[3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol has a molecular weight of 265.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol is sourced from PubChem (CID 150364719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).