1-ethyl-3-methyl-N-(2-morpholin-4-ylethyl)-5-propylpyrazolo[4,5-d]pyrimidin-7-amine

C17H28N6O — CID 71691384

IUPAC1-ethyl-3-methyl-N-(2-morpholin-4-ylethyl)-5-propylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nc(NCCN2CCOCC2)c2c(n1)c(C)nn2CC
InChIInChI=1S/C17H28N6O/c1-4-6-14-19-15-13(3)21-23(5-2)16(15)17(20-14)18-7-8-22-9-11-24-12-10-22/h4-12H2,1-3H3,(H,18,19,20)
InChIKeyHJBBWUQFGFXEIG-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.85
Rot. Bonds7

About 1-ethyl-3-methyl-N-(2-morpholin-4-ylethyl)-5-propylpyrazolo[4,5-d]pyrimidin-7-amine

1-ethyl-3-methyl-N-(2-morpholin-4-ylethyl)-5-propylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 71691384) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-(2-morpholin-4-ylethyl)-5-propylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-(2-morpholin-4-ylethyl)-5-propylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID71691384
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name1-ethyl-3-methyl-N-(2-morpholin-4-ylethyl)-5-propylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nc(NCCN2CCOCC2)c2c(n1)c(C)nn2CC
InChIInChI=1S/C17H28N6O/c1-4-6-14-19-15-13(3)21-23(5-2)16(15)17(20-14)18-7-8-22-9-11-24-12-10-22/h4-12H2,1-3H3,(H,18,19,20)
InChIKeyHJBBWUQFGFXEIG-UHFFFAOYSA-N
XLogP1.85
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-(2-morpholin-4-ylethyl)-5-propylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-ethyl-3-methyl-N-(2-morpholin-4-ylethyl)-5-propylpyrazolo[4,5-d]pyrimidin-7-amine (CID 71691384) is 1-ethyl-3-methyl-N-(2-morpholin-4-ylethyl)-5-propylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-ethyl-3-methyl-N-(2-morpholin-4-ylethyl)-5-propylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-ethyl-3-methyl-N-(2-morpholin-4-ylethyl)-5-propylpyrazolo[4,5-d]pyrimidin-7-amine is CCCc1nc(NCCN2CCOCC2)c2c(n1)c(C)nn2CC.
What is the InChIKey of 1-ethyl-3-methyl-N-(2-morpholin-4-ylethyl)-5-propylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is HJBBWUQFGFXEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-4-6-14-19-15-13(3)21-23(5-2)16(15)17(20-14)18-7-8-22-9-11-24-12-10-22/h4-12H2,1-3H3,(H,18,19,20).
What are the key properties of 1-ethyl-3-methyl-N-(2-morpholin-4-ylethyl)-5-propylpyrazolo[4,5-d]pyrimidin-7-amine?
1-ethyl-3-methyl-N-(2-morpholin-4-ylethyl)-5-propylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 332.45 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-(2-morpholin-4-ylethyl)-5-propylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 71691384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).