7-benzyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine

C17H20N6 — CID 71519348

IUPAC7-benzyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(N2CCNCC2)c2ccn(Cc3ccccc3)c2n1
InChIInChI=1S/C17H20N6/c18-17-20-15(22-10-7-19-8-11-22)14-6-9-23(16(14)21-17)12-13-4-2-1-3-5-13/h1-6,9,19H,7-8,10-12H2,(H2,18,20,21)
InChIKeyJGAIGKSTYRMIPG-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.47
Rot. Bonds3

About 7-benzyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine

7-benzyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 71519348) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 7-benzyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-benzyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID71519348
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name7-benzyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(N2CCNCC2)c2ccn(Cc3ccccc3)c2n1
InChIInChI=1S/C17H20N6/c18-17-20-15(22-10-7-19-8-11-22)14-6-9-23(16(14)21-17)12-13-4-2-1-3-5-13/h1-6,9,19H,7-8,10-12H2,(H2,18,20,21)
InChIKeyJGAIGKSTYRMIPG-UHFFFAOYSA-N
XLogP1.47
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-benzyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine (CID 71519348) is 7-benzyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-benzyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-benzyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine is Nc1nc(N2CCNCC2)c2ccn(Cc3ccccc3)c2n1.
What is the InChIKey of 7-benzyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is JGAIGKSTYRMIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c18-17-20-15(22-10-7-19-8-11-22)14-6-9-23(16(14)21-17)12-13-4-2-1-3-5-13/h1-6,9,19H,7-8,10-12H2,(H2,18,20,21).
What are the key properties of 7-benzyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine?
7-benzyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 308.39 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 71519348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).