4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine

C13H18N4S — CID 70749934

IUPAC4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine
SMILESCC(C)c1cc(N2CCSCC2)n2nccc2n1
InChIInChI=1S/C13H18N4S/c1-10(2)11-9-13(16-5-7-18-8-6-16)17-12(15-11)3-4-14-17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyCURFUFZNHCHPKJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.41
Rot. Bonds2

About 4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine

4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine (PubChem CID 70749934) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine.

Molecular Properties

Compound Name4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine
PubChem CID70749934
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine
SMILESCC(C)c1cc(N2CCSCC2)n2nccc2n1
InChIInChI=1S/C13H18N4S/c1-10(2)11-9-13(16-5-7-18-8-6-16)17-12(15-11)3-4-14-17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyCURFUFZNHCHPKJ-UHFFFAOYSA-N
XLogP2.41
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine?
The IUPAC name of 4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine (CID 70749934) is 4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine.
What is the SMILES notation for 4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine?
The canonical SMILES for 4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine is CC(C)c1cc(N2CCSCC2)n2nccc2n1.
What is the InChIKey of 4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine?
The InChIKey is CURFUFZNHCHPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10(2)11-9-13(16-5-7-18-8-6-16)17-12(15-11)3-4-14-17/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine?
4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine has a molecular weight of 262.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine is sourced from PubChem (CID 70749934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).