5-ethoxypyrazolo[1,5-a]pyrimidin-7-amine

C8H10N4O — CID 139812544

IUPAC5-ethoxypyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCOc1cc(N)n2nccc2n1
InChIInChI=1S/C8H10N4O/c1-2-13-8-5-6(9)12-7(11-8)3-4-10-12/h3-5H,2,9H2,1H3
InChIKeyIRGWNCGOKIKDRS-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.71
Rot. Bonds2

About 5-ethoxypyrazolo[1,5-a]pyrimidin-7-amine

5-ethoxypyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 139812544) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-ethoxypyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethoxypyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID139812544
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name5-ethoxypyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCOc1cc(N)n2nccc2n1
InChIInChI=1S/C8H10N4O/c1-2-13-8-5-6(9)12-7(11-8)3-4-10-12/h3-5H,2,9H2,1H3
InChIKeyIRGWNCGOKIKDRS-UHFFFAOYSA-N
XLogP0.71
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxypyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethoxypyrazolo[1,5-a]pyrimidin-7-amine (CID 139812544) is 5-ethoxypyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethoxypyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethoxypyrazolo[1,5-a]pyrimidin-7-amine is CCOc1cc(N)n2nccc2n1.
What is the InChIKey of 5-ethoxypyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IRGWNCGOKIKDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-2-13-8-5-6(9)12-7(11-8)3-4-10-12/h3-5H,2,9H2,1H3.
What are the key properties of 5-ethoxypyrazolo[1,5-a]pyrimidin-7-amine?
5-ethoxypyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 178.19 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxypyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 139812544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).