2-amino-9-cyclopentyl-1H-purin-6-one

C10H13N5O — CID 135408673

IUPAC2-amino-9-cyclopentyl-1H-purin-6-one
SMILESNc1nc2c(ncn2C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C10H13N5O/c11-10-13-8-7(9(16)14-10)12-5-15(8)6-3-1-2-4-6/h5-6H,1-4H2,(H3,11,13,14,16)
InChIKeyPKFFVWSMZQVYAY-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.82
Rot. Bonds1

About 2-amino-9-cyclopentyl-1H-purin-6-one

2-amino-9-cyclopentyl-1H-purin-6-one (PubChem CID 135408673) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-amino-9-cyclopentyl-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-cyclopentyl-1H-purin-6-one
PubChem CID135408673
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-amino-9-cyclopentyl-1H-purin-6-one
SMILESNc1nc2c(ncn2C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C10H13N5O/c11-10-13-8-7(9(16)14-10)12-5-15(8)6-3-1-2-4-6/h5-6H,1-4H2,(H3,11,13,14,16)
InChIKeyPKFFVWSMZQVYAY-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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Related Compounds

2-amino-9-[(1R,2R)-2-hydroxycycloheptyl]-1H-purin-6-one
CID 135439454
6-amino-9-cyclopentyl-1H-purin-2-one
CID 145422864
2-amino-9-cyclohex-2-en-1-yl-1H-purin-6-one
CID 136682612
2-amino-9-[(1R,5S)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hexanyl]-1H-purin-6-one
CID 135400904
2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
CID 136880790
2-amino-8-cyclopentyl-3H-pteridine-4,7-dione
CID 175977941
9-[(2S,3aS,6aS)-6a-(hydroxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]-2-amino-1H-purin-6-one
CID 136803292
2-amino-9-[(2R,4S,5S)-5-[amino(hydroxy)methyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one
CID 175719934
2-amino-9-[3-(hydroxymethyl)cyclopent-3-en-1-yl]-1H-purin-6-one;hydrate
CID 135548411
2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one
CID 137213095
2-amino-9-[5-(methylphosphanyloxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 142386439
[(2S,4R)-4-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]-hydroxy-dioxidophosphanium
CID 136784290

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-cyclopentyl-1H-purin-6-one?
The IUPAC name of 2-amino-9-cyclopentyl-1H-purin-6-one (CID 135408673) is 2-amino-9-cyclopentyl-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-cyclopentyl-1H-purin-6-one?
The canonical SMILES for 2-amino-9-cyclopentyl-1H-purin-6-one is Nc1nc2c(ncn2C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-cyclopentyl-1H-purin-6-one?
The InChIKey is PKFFVWSMZQVYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-10-13-8-7(9(16)14-10)12-5-15(8)6-3-1-2-4-6/h5-6H,1-4H2,(H3,11,13,14,16).
What are the key properties of 2-amino-9-cyclopentyl-1H-purin-6-one?
2-amino-9-cyclopentyl-1H-purin-6-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 2-amino-9-cyclopentyl-1H-purin-6-one is sourced from PubChem (CID 135408673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).