9-(cyclopenten-1-yl)purine

C10H10N4 — CID 57282582

IUPAC9-(cyclopenten-1-yl)purine
SMILESC1=C(n2cnc3cncnc32)CCC1
InChIInChI=1S/C10H10N4/c1-2-4-8(3-1)14-7-13-9-5-11-6-12-10(9)14/h3,5-7H,1-2,4H2
InChIKeyGAPQTVMBDJQWRD-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.85
Rot. Bonds1

About 9-(cyclopenten-1-yl)purine

9-(cyclopenten-1-yl)purine (PubChem CID 57282582) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 9-(cyclopenten-1-yl)purine.

Molecular Properties

Compound Name9-(cyclopenten-1-yl)purine
PubChem CID57282582
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name9-(cyclopenten-1-yl)purine
SMILESC1=C(n2cnc3cncnc32)CCC1
InChIInChI=1S/C10H10N4/c1-2-4-8(3-1)14-7-13-9-5-11-6-12-10(9)14/h3,5-7H,1-2,4H2
InChIKeyGAPQTVMBDJQWRD-UHFFFAOYSA-N
XLogP1.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopenten-1-yl)purine?
The IUPAC name of 9-(cyclopenten-1-yl)purine (CID 57282582) is 9-(cyclopenten-1-yl)purine.
What is the SMILES notation for 9-(cyclopenten-1-yl)purine?
The canonical SMILES for 9-(cyclopenten-1-yl)purine is C1=C(n2cnc3cncnc32)CCC1.
What is the InChIKey of 9-(cyclopenten-1-yl)purine?
The InChIKey is GAPQTVMBDJQWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-2-4-8(3-1)14-7-13-9-5-11-6-12-10(9)14/h3,5-7H,1-2,4H2.
What are the key properties of 9-(cyclopenten-1-yl)purine?
9-(cyclopenten-1-yl)purine has a molecular weight of 186.22 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopenten-1-yl)purine is sourced from PubChem (CID 57282582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).