6-amino-9-cyclopentyl-7H-purin-8-one

C10H13N5O — CID 12016634

IUPAC6-amino-9-cyclopentyl-7H-purin-8-one
SMILESNc1ncnc2c1[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C10H13N5O/c11-8-7-9(13-5-12-8)15(10(16)14-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,14,16)(H2,11,12,13)
InChIKeyGVHPUWNLUBNXJJ-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.82
Rot. Bonds1

About 6-amino-9-cyclopentyl-7H-purin-8-one

6-amino-9-cyclopentyl-7H-purin-8-one (PubChem CID 12016634) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-amino-9-cyclopentyl-7H-purin-8-one.

Molecular Properties

Compound Name6-amino-9-cyclopentyl-7H-purin-8-one
PubChem CID12016634
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name6-amino-9-cyclopentyl-7H-purin-8-one
SMILESNc1ncnc2c1[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C10H13N5O/c11-8-7-9(13-5-12-8)15(10(16)14-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,14,16)(H2,11,12,13)
InChIKeyGVHPUWNLUBNXJJ-UHFFFAOYSA-N
XLogP0.82
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-9-cyclopentyl-7H-purin-8-one?
The IUPAC name of 6-amino-9-cyclopentyl-7H-purin-8-one (CID 12016634) is 6-amino-9-cyclopentyl-7H-purin-8-one.
What is the SMILES notation for 6-amino-9-cyclopentyl-7H-purin-8-one?
The canonical SMILES for 6-amino-9-cyclopentyl-7H-purin-8-one is Nc1ncnc2c1[nH]c(=O)n2C1CCCC1.
What is the InChIKey of 6-amino-9-cyclopentyl-7H-purin-8-one?
The InChIKey is GVHPUWNLUBNXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-8-7-9(13-5-12-8)15(10(16)14-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,14,16)(H2,11,12,13).
What are the key properties of 6-amino-9-cyclopentyl-7H-purin-8-one?
6-amino-9-cyclopentyl-7H-purin-8-one has a molecular weight of 219.25 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-cyclopentyl-7H-purin-8-one is sourced from PubChem (CID 12016634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).