2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(methylsulfanylmethyl)pyrrolidin-3-ol

C11H16N6OS — CID 142809613

IUPAC2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(methylsulfanylmethyl)pyrrolidin-3-ol
SMILESCSCC1CC(O)C(c2[nH]nc3c(N)ncnc23)N1
InChIInChI=1S/C11H16N6OS/c1-19-3-5-2-6(18)7(15-5)9-8-10(17-16-9)11(12)14-4-13-8/h4-7,15,18H,2-3H2,1H3,(H,16,17)(H2,12,13,14)
InChIKeyRNKXTKRSICAMJN-UHFFFAOYSA-N
MW280.36 g/mol
LogP0.06
Rot. Bonds3

About 2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(methylsulfanylmethyl)pyrrolidin-3-ol

2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(methylsulfanylmethyl)pyrrolidin-3-ol (PubChem CID 142809613) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(methylsulfanylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(methylsulfanylmethyl)pyrrolidin-3-ol
PubChem CID142809613
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC Name2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(methylsulfanylmethyl)pyrrolidin-3-ol
SMILESCSCC1CC(O)C(c2[nH]nc3c(N)ncnc23)N1
InChIInChI=1S/C11H16N6OS/c1-19-3-5-2-6(18)7(15-5)9-8-10(17-16-9)11(12)14-4-13-8/h4-7,15,18H,2-3H2,1H3,(H,16,17)(H2,12,13,14)
InChIKeyRNKXTKRSICAMJN-UHFFFAOYSA-N
XLogP0.06
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3S,5R)-5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 512707
(3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11990569
(2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol
CID 91227656
2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidin-3-ol
CID 169188122
1-[[5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-hydroxypyrrolidin-2-yl]methoxy]ethyl 2,2-dimethylpropanoate
CID 123478224
(3S,4R)-1-[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methyl]-4-[(4-chlorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 25016939
7-[[3-(methylsulfanylmethyl)azetidin-1-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 24799125
(3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-[(3-chlorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 11990590
2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-ethylpyrrolidine-3,4-diol
CID 21044337
(3R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(methylsulfanylmethyl)pyrrolidin-3-ol;oxalic acid
CID 90135144
(2R,3S)-2-(6-aminopurin-9-yl)-4-(2-methylsulfanylethyl)oxolane-3,4-diol
CID 163539936
(2S,3S,4R,5S)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(propylsulfanylmethyl)pyrrolidine-3,4-diol
CID 11738816

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(methylsulfanylmethyl)pyrrolidin-3-ol?
The IUPAC name of 2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(methylsulfanylmethyl)pyrrolidin-3-ol (CID 142809613) is 2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(methylsulfanylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(methylsulfanylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(methylsulfanylmethyl)pyrrolidin-3-ol is CSCC1CC(O)C(c2[nH]nc3c(N)ncnc23)N1.
What is the InChIKey of 2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(methylsulfanylmethyl)pyrrolidin-3-ol?
The InChIKey is RNKXTKRSICAMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-19-3-5-2-6(18)7(15-5)9-8-10(17-16-9)11(12)14-4-13-8/h4-7,15,18H,2-3H2,1H3,(H,16,17)(H2,12,13,14).
What are the key properties of 2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(methylsulfanylmethyl)pyrrolidin-3-ol?
2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(methylsulfanylmethyl)pyrrolidin-3-ol has a molecular weight of 280.36 g/mol, XLogP of 0.06, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(methylsulfanylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 142809613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).