2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine

C11H15N5S — CID 133309259

IUPAC2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine
SMILESCC1SCCN(c2ncnc3[nH]ncc23)C1C
InChIInChI=1S/C11H15N5S/c1-7-8(2)17-4-3-16(7)11-9-5-14-15-10(9)12-6-13-11/h5-8H,3-4H2,1-2H3,(H,12,13,14,15)
InChIKeyMMEQNJIBCJXVLB-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.68
Rot. Bonds1

About 2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine

2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine (PubChem CID 133309259) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine.

Molecular Properties

Compound Name2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine
PubChem CID133309259
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine
SMILESCC1SCCN(c2ncnc3[nH]ncc23)C1C
InChIInChI=1S/C11H15N5S/c1-7-8(2)17-4-3-16(7)11-9-5-14-15-10(9)12-6-13-11/h5-8H,3-4H2,1-2H3,(H,12,13,14,15)
InChIKeyMMEQNJIBCJXVLB-UHFFFAOYSA-N
XLogP1.68
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 178104944
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133269772
3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 178107069
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 84818658
4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 133376968
4-(3-methylsulfanylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133395111
4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138019722
4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 16627028
5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine
CID 163344597
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138511220
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine?
The IUPAC name of 2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine (CID 133309259) is 2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine.
What is the SMILES notation for 2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine?
The canonical SMILES for 2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine is CC1SCCN(c2ncnc3[nH]ncc23)C1C.
What is the InChIKey of 2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine?
The InChIKey is MMEQNJIBCJXVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-7-8(2)17-4-3-16(7)11-9-5-14-15-10(9)12-6-13-11/h5-8H,3-4H2,1-2H3,(H,12,13,14,15).
What are the key properties of 2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine?
2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine has a molecular weight of 249.34 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine is sourced from PubChem (CID 133309259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).