2-[[1-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol

C13H18N8O2 — CID 134158070

IUPAC2-[[1-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
SMILESCc1noc(CCNc2nc(NCCO)c3cnn(C)c3n2)n1
InChIInChI=1S/C13H18N8O2/c1-8-17-10(23-20-8)3-4-15-13-18-11(14-5-6-22)9-7-16-21(2)12(9)19-13/h7,22H,3-6H2,1-2H3,(H2,14,15,18,19)
InChIKeyOBGQOGMKOGNBBG-UHFFFAOYSA-N
MW318.34 g/mol
LogP0.11
Rot. Bonds7

About 2-[[1-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol

2-[[1-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol (PubChem CID 134158070) has the molecular formula C13H18N8O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-[[1-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
PubChem CID134158070
Molecular FormulaC13H18N8O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name2-[[1-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
SMILESCc1noc(CCNc2nc(NCCO)c3cnn(C)c3n2)n1
InChIInChI=1S/C13H18N8O2/c1-8-17-10(23-20-8)3-4-15-13-18-11(14-5-6-22)9-7-16-21(2)12(9)19-13/h7,22H,3-6H2,1-2H3,(H2,14,15,18,19)
InChIKeyOBGQOGMKOGNBBG-UHFFFAOYSA-N
XLogP0.11
TPSA126.81 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[1-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol (CID 134158070) is 2-[[1-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[1-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol is Cc1noc(CCNc2nc(NCCO)c3cnn(C)c3n2)n1.
What is the InChIKey of 2-[[1-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
The InChIKey is OBGQOGMKOGNBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8O2/c1-8-17-10(23-20-8)3-4-15-13-18-11(14-5-6-22)9-7-16-21(2)12(9)19-13/h7,22H,3-6H2,1-2H3,(H2,14,15,18,19).
What are the key properties of 2-[[1-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
2-[[1-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol has a molecular weight of 318.34 g/mol, XLogP of 0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 134158070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).