6-pyrrolidin-3-yl-7H-purine

C9H11N5 — CID 82404474

IUPAC6-pyrrolidin-3-yl-7H-purine
SMILESc1nc(C2CCNC2)c2[nH]cnc2n1
InChIInChI=1S/C9H11N5/c1-2-10-3-6(1)7-8-9(13-4-11-7)14-5-12-8/h4-6,10H,1-3H2,(H,11,12,13,14)
InChIKeyOCWVEUHBRMTMDY-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.43
Rot. Bonds1

About 6-pyrrolidin-3-yl-7H-purine

6-pyrrolidin-3-yl-7H-purine (PubChem CID 82404474) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 6-pyrrolidin-3-yl-7H-purine.

Molecular Properties

Compound Name6-pyrrolidin-3-yl-7H-purine
PubChem CID82404474
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name6-pyrrolidin-3-yl-7H-purine
SMILESc1nc(C2CCNC2)c2[nH]cnc2n1
InChIInChI=1S/C9H11N5/c1-2-10-3-6(1)7-8-9(13-4-11-7)14-5-12-8/h4-6,10H,1-3H2,(H,11,12,13,14)
InChIKeyOCWVEUHBRMTMDY-UHFFFAOYSA-N
XLogP0.43
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-3-yl-7H-purine?
The IUPAC name of 6-pyrrolidin-3-yl-7H-purine (CID 82404474) is 6-pyrrolidin-3-yl-7H-purine.
What is the SMILES notation for 6-pyrrolidin-3-yl-7H-purine?
The canonical SMILES for 6-pyrrolidin-3-yl-7H-purine is c1nc(C2CCNC2)c2[nH]cnc2n1.
What is the InChIKey of 6-pyrrolidin-3-yl-7H-purine?
The InChIKey is OCWVEUHBRMTMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-2-10-3-6(1)7-8-9(13-4-11-7)14-5-12-8/h4-6,10H,1-3H2,(H,11,12,13,14).
What are the key properties of 6-pyrrolidin-3-yl-7H-purine?
6-pyrrolidin-3-yl-7H-purine has a molecular weight of 189.22 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-3-yl-7H-purine is sourced from PubChem (CID 82404474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).