2,5-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C13H16N6OS — CID 70715755

IUPAC2,5-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCSCc1noc(CNc2cc(C)nc3cc(C)nn23)n1
InChIInChI=1S/C13H16N6OS/c1-8-4-11(19-12(15-8)5-9(2)17-19)14-6-13-16-10(7-21-3)18-20-13/h4-5,14H,6-7H2,1-3H3
InChIKeyHBPYJGRUSXTAGS-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.20
Rot. Bonds5

About 2,5-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70715755) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70715755
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name2,5-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCSCc1noc(CNc2cc(C)nc3cc(C)nn23)n1
InChIInChI=1S/C13H16N6OS/c1-8-4-11(19-12(15-8)5-9(2)17-19)14-6-13-16-10(7-21-3)18-20-13/h4-5,14H,6-7H2,1-3H3
InChIKeyHBPYJGRUSXTAGS-UHFFFAOYSA-N
XLogP2.20
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,5-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 18406994
N-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70759489
2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70788936
2,5-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56892306
3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 56883087
N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56913217
N-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65130461
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70771434
4,6-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 91797993
3-(methylsulfanylmethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazole
CID 72846179
N-methyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62694112
5-benzyl-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 56648390

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 70715755) is 2,5-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is CSCc1noc(CNc2cc(C)nc3cc(C)nn23)n1.
What is the InChIKey of 2,5-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HBPYJGRUSXTAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-8-4-11(19-12(15-8)5-9(2)17-19)14-6-13-16-10(7-21-3)18-20-13/h4-5,14H,6-7H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 304.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70715755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).