2-pyrrolidin-3-yl-7H-purine

C9H11N5 — CID 21145789

IUPAC2-pyrrolidin-3-yl-7H-purine
SMILESc1nc2nc(C3CCNC3)ncc2[nH]1
InChIInChI=1S/C9H11N5/c1-2-10-3-6(1)8-11-4-7-9(14-8)13-5-12-7/h4-6,10H,1-3H2,(H,11,12,13,14)
InChIKeyJOXGJHDJGODVGO-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.43
Rot. Bonds1

About 2-pyrrolidin-3-yl-7H-purine

2-pyrrolidin-3-yl-7H-purine (PubChem CID 21145789) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-7H-purine.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-7H-purine
PubChem CID21145789
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name2-pyrrolidin-3-yl-7H-purine
SMILESc1nc2nc(C3CCNC3)ncc2[nH]1
InChIInChI=1S/C9H11N5/c1-2-10-3-6(1)8-11-4-7-9(14-8)13-5-12-7/h4-6,10H,1-3H2,(H,11,12,13,14)
InChIKeyJOXGJHDJGODVGO-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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Related Compounds

2-Aminopurine
CID 9955
Purine
CID 1044
Isopentenyladenine
CID 92180
2-chloro-7H-purine
CID 519314
N6-Ethenoadenine
CID 104994
6-(pyrrolidin-1-yl)-9H-purine
CID 756690
2-Aminopurine nitrate
CID 160416
Adenine,N6-propyl
CID 2155040
N-cyclopentyl-9H-purin-6-amine
CID 756681
Adenine,N6-I-propyl
CID 907882
Dimethylaminopurine
CID 4312426
N-butyl-7H-purin-6-amine
CID 521516

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-7H-purine?
The IUPAC name of 2-pyrrolidin-3-yl-7H-purine (CID 21145789) is 2-pyrrolidin-3-yl-7H-purine.
What is the SMILES notation for 2-pyrrolidin-3-yl-7H-purine?
The canonical SMILES for 2-pyrrolidin-3-yl-7H-purine is c1nc2nc(C3CCNC3)ncc2[nH]1.
What is the InChIKey of 2-pyrrolidin-3-yl-7H-purine?
The InChIKey is JOXGJHDJGODVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-2-10-3-6(1)8-11-4-7-9(14-8)13-5-12-7/h4-6,10H,1-3H2,(H,11,12,13,14).
What are the key properties of 2-pyrrolidin-3-yl-7H-purine?
2-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 2-pyrrolidin-3-yl-7H-purine is sourced from PubChem (CID 21145789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).