2-piperazin-1-yl-7H-purine

C9H12N6 — CID 23128690

IUPAC2-piperazin-1-yl-7H-purine
SMILESc1nc2nc(N3CCNCC3)ncc2[nH]1
InChIInChI=1S/C9H12N6/c1-3-15(4-2-10-1)9-11-5-7-8(14-9)13-6-12-7/h5-6,10H,1-4H2,(H,11,12,13,14)
InChIKeyXHMOVCSOULHBDU-UHFFFAOYSA-N
MW204.24 g/mol
LogP-0.24
Rot. Bonds1

About 2-piperazin-1-yl-7H-purine

2-piperazin-1-yl-7H-purine (PubChem CID 23128690) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-piperazin-1-yl-7H-purine.

Molecular Properties

Compound Name2-piperazin-1-yl-7H-purine
PubChem CID23128690
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name2-piperazin-1-yl-7H-purine
SMILESc1nc2nc(N3CCNCC3)ncc2[nH]1
InChIInChI=1S/C9H12N6/c1-3-15(4-2-10-1)9-11-5-7-8(14-9)13-6-12-7/h5-6,10H,1-4H2,(H,11,12,13,14)
InChIKeyXHMOVCSOULHBDU-UHFFFAOYSA-N
XLogP-0.24
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-7H-purine?
The IUPAC name of 2-piperazin-1-yl-7H-purine (CID 23128690) is 2-piperazin-1-yl-7H-purine.
What is the SMILES notation for 2-piperazin-1-yl-7H-purine?
The canonical SMILES for 2-piperazin-1-yl-7H-purine is c1nc2nc(N3CCNCC3)ncc2[nH]1.
What is the InChIKey of 2-piperazin-1-yl-7H-purine?
The InChIKey is XHMOVCSOULHBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-3-15(4-2-10-1)9-11-5-7-8(14-9)13-6-12-7/h5-6,10H,1-4H2,(H,11,12,13,14).
What are the key properties of 2-piperazin-1-yl-7H-purine?
2-piperazin-1-yl-7H-purine has a molecular weight of 204.24 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-7H-purine is sourced from PubChem (CID 23128690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).