4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine

C14H20N4S — CID 56895401

IUPAC4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine
SMILESCCc1cc(N2CCSCC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C14H20N4S/c1-4-12-9-13(17-5-7-19-8-6-17)18-14(15-12)10(2)11(3)16-18/h9H,4-8H2,1-3H3
InChIKeyXOSZGWYSPRGEOD-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.46
Rot. Bonds2

About 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine

4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine (PubChem CID 56895401) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine.

Molecular Properties

Compound Name4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine
PubChem CID56895401
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine
SMILESCCc1cc(N2CCSCC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C14H20N4S/c1-4-12-9-13(17-5-7-19-8-6-17)18-14(15-12)10(2)11(3)16-18/h9H,4-8H2,1-3H3
InChIKeyXOSZGWYSPRGEOD-UHFFFAOYSA-N
XLogP2.46
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine?
The IUPAC name of 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine (CID 56895401) is 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine.
What is the SMILES notation for 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine?
The canonical SMILES for 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine is CCc1cc(N2CCSCC2)n2nc(C)c(C)c2n1.
What is the InChIKey of 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine?
The InChIKey is XOSZGWYSPRGEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-4-12-9-13(17-5-7-19-8-6-17)18-14(15-12)10(2)11(3)16-18/h9H,4-8H2,1-3H3.
What are the key properties of 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine?
4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine has a molecular weight of 276.41 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine is sourced from PubChem (CID 56895401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).