4-pyrrolidin-1-yl-6,7,8,9-tetrahydropurino[9,8-a]pyridine

C13H17N5 — CID 20912658

IUPAC4-pyrrolidin-1-yl-6,7,8,9-tetrahydropurino[9,8-a]pyridine
SMILESc1nc(N2CCCC2)c2nc3n(c2n1)CCCC3
InChIInChI=1S/C13H17N5/c1-2-8-18-10(5-1)16-11-12(14-9-15-13(11)18)17-6-3-4-7-17/h9H,1-8H2
InChIKeyBOXQAQQIVBYAIJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.76
Rot. Bonds1

About 4-pyrrolidin-1-yl-6,7,8,9-tetrahydropurino[9,8-a]pyridine

4-pyrrolidin-1-yl-6,7,8,9-tetrahydropurino[9,8-a]pyridine (PubChem CID 20912658) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-6,7,8,9-tetrahydropurino[9,8-a]pyridine.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-6,7,8,9-tetrahydropurino[9,8-a]pyridine
PubChem CID20912658
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-pyrrolidin-1-yl-6,7,8,9-tetrahydropurino[9,8-a]pyridine
SMILESc1nc(N2CCCC2)c2nc3n(c2n1)CCCC3
InChIInChI=1S/C13H17N5/c1-2-8-18-10(5-1)16-11-12(14-9-15-13(11)18)17-6-3-4-7-17/h9H,1-8H2
InChIKeyBOXQAQQIVBYAIJ-UHFFFAOYSA-N
XLogP1.76
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-6,7,8,9-tetrahydropurino[9,8-a]pyridine?
The IUPAC name of 4-pyrrolidin-1-yl-6,7,8,9-tetrahydropurino[9,8-a]pyridine (CID 20912658) is 4-pyrrolidin-1-yl-6,7,8,9-tetrahydropurino[9,8-a]pyridine.
What is the SMILES notation for 4-pyrrolidin-1-yl-6,7,8,9-tetrahydropurino[9,8-a]pyridine?
The canonical SMILES for 4-pyrrolidin-1-yl-6,7,8,9-tetrahydropurino[9,8-a]pyridine is c1nc(N2CCCC2)c2nc3n(c2n1)CCCC3.
What is the InChIKey of 4-pyrrolidin-1-yl-6,7,8,9-tetrahydropurino[9,8-a]pyridine?
The InChIKey is BOXQAQQIVBYAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-8-18-10(5-1)16-11-12(14-9-15-13(11)18)17-6-3-4-7-17/h9H,1-8H2.
What are the key properties of 4-pyrrolidin-1-yl-6,7,8,9-tetrahydropurino[9,8-a]pyridine?
4-pyrrolidin-1-yl-6,7,8,9-tetrahydropurino[9,8-a]pyridine has a molecular weight of 243.31 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-6,7,8,9-tetrahydropurino[9,8-a]pyridine is sourced from PubChem (CID 20912658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).