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

C10H13N5O — CID 145422864

IUPAC6-amino-9-cyclopentyl-1H-purin-2-one
SMILESNc1[nH]c(=O)nc2c1ncn2C1CCCC1
InChIInChI=1S/C10H13N5O/c11-8-7-9(14-10(16)13-8)15(5-12-7)6-3-1-2-4-6/h5-6H,1-4H2,(H3,11,13,14,16)
InChIKeyPLGTZPSOCYGKCK-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.82
Rot. Bonds1

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

6-amino-9-cyclopentyl-1H-purin-2-one (PubChem CID 145422864) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-amino-9-cyclopentyl-1H-purin-2-one.

Molecular Properties

Compound Name6-amino-9-cyclopentyl-1H-purin-2-one
PubChem CID145422864
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name6-amino-9-cyclopentyl-1H-purin-2-one
SMILESNc1[nH]c(=O)nc2c1ncn2C1CCCC1
InChIInChI=1S/C10H13N5O/c11-8-7-9(14-10(16)13-8)15(5-12-7)6-3-1-2-4-6/h5-6H,1-4H2,(H3,11,13,14,16)
InChIKeyPLGTZPSOCYGKCK-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-cyclopentyl-1H-purin-6-one
CID 135408673
6-chloro-9-cyclobutylpurin-2-amine
CID 14781927
6-amino-9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one
CID 59801633
6-amino-9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-2-one
CID 58777236
[2-(6-amino-2-oxo-1H-purin-9-yl)-4-(methoxymethyl)oxetan-3-yl] dihydrogen phosphate
CID 170376918
2-amino-9-[(1R,2R)-2-hydroxycycloheptyl]-1H-purin-6-one
CID 135439454
[(2R,3S,4R,5R)-5-(6-amino-2-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl propanoate
CID 22794427
5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol
CID 162735522
9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine
CID 10267710
9-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-amino-1H-purin-2-one
CID 11729835
9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine
CID 57147797
6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine
CID 74789553

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-cyclopentyl-1H-purin-2-one?
The IUPAC name of 6-amino-9-cyclopentyl-1H-purin-2-one (CID 145422864) is 6-amino-9-cyclopentyl-1H-purin-2-one.
What is the SMILES notation for 6-amino-9-cyclopentyl-1H-purin-2-one?
The canonical SMILES for 6-amino-9-cyclopentyl-1H-purin-2-one is Nc1[nH]c(=O)nc2c1ncn2C1CCCC1.
What is the InChIKey of 6-amino-9-cyclopentyl-1H-purin-2-one?
The InChIKey is PLGTZPSOCYGKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-8-7-9(14-10(16)13-8)15(5-12-7)6-3-1-2-4-6/h5-6H,1-4H2,(H3,11,13,14,16).
What are the key properties of 6-amino-9-cyclopentyl-1H-purin-2-one?
6-amino-9-cyclopentyl-1H-purin-2-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-1H-purin-2-one is sourced from PubChem (CID 145422864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).