6-pyrrolidin-1-yl-7H-purine

C9H11N5 — CID 756690

IUPAC6-pyrrolidin-1-yl-7H-purine
SMILESc1nc(N2CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C9H11N5/c1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,10,11,12,13)
InChIKeyIQSRNEOAVVBNGN-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.95
Rot. Bonds1

About 6-pyrrolidin-1-yl-7H-purine

6-pyrrolidin-1-yl-7H-purine (PubChem CID 756690) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-7H-purine.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-7H-purine
PubChem CID756690
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name6-pyrrolidin-1-yl-7H-purine
SMILESc1nc(N2CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C9H11N5/c1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,10,11,12,13)
InChIKeyIQSRNEOAVVBNGN-UHFFFAOYSA-N
XLogP0.95
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-7H-purine?
The IUPAC name of 6-pyrrolidin-1-yl-7H-purine (CID 756690) is 6-pyrrolidin-1-yl-7H-purine.
What is the SMILES notation for 6-pyrrolidin-1-yl-7H-purine?
The canonical SMILES for 6-pyrrolidin-1-yl-7H-purine is c1nc(N2CCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-pyrrolidin-1-yl-7H-purine?
The InChIKey is IQSRNEOAVVBNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,10,11,12,13).
What are the key properties of 6-pyrrolidin-1-yl-7H-purine?
6-pyrrolidin-1-yl-7H-purine has a molecular weight of 189.22 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-7H-purine is sourced from PubChem (CID 756690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).