2-amino-9-[1-(2-hydroxyethyl)cyclopentyl]-1H-purin-6-one

C12H17N5O2 — CID 139640968

IUPAC2-amino-9-[1-(2-hydroxyethyl)cyclopentyl]-1H-purin-6-one
SMILESNc1nc2c(ncn2C2(CCO)CCCC2)c(=O)[nH]1
InChIInChI=1S/C12H17N5O2/c13-11-15-9-8(10(19)16-11)14-7-17(9)12(5-6-18)3-1-2-4-12/h7,18H,1-6H2,(H3,13,15,16,19)
InChIKeyOZUDVTGWWGGQFY-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.35
Rot. Bonds3

About 2-amino-9-[1-(2-hydroxyethyl)cyclopentyl]-1H-purin-6-one

2-amino-9-[1-(2-hydroxyethyl)cyclopentyl]-1H-purin-6-one (PubChem CID 139640968) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-9-[1-(2-hydroxyethyl)cyclopentyl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[1-(2-hydroxyethyl)cyclopentyl]-1H-purin-6-one
PubChem CID139640968
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-amino-9-[1-(2-hydroxyethyl)cyclopentyl]-1H-purin-6-one
SMILESNc1nc2c(ncn2C2(CCO)CCCC2)c(=O)[nH]1
InChIInChI=1S/C12H17N5O2/c13-11-15-9-8(10(19)16-11)14-7-17(9)12(5-6-18)3-1-2-4-12/h7,18H,1-6H2,(H3,13,15,16,19)
InChIKeyOZUDVTGWWGGQFY-UHFFFAOYSA-N
XLogP0.35
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-9-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)-1-bicyclo[3.1.0]hexanyl]-1H-purin-6-one
CID 135513676
2-amino-9-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl]-1H-purin-6-one
CID 146409933
2-amino-9-[(1R,2R,3R)-2-hydroxy-3-(hydroxymethyl)-2-methylcyclobutyl]-1H-purin-6-one
CID 135468004
2-amino-9-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]-1H-purin-6-one
CID 135468005
2-amino-9-[(1R,2S,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]-1H-purin-6-one
CID 135445960
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-9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-methylsilyloxolan-2-yl]-1H-purin-6-one
CID 151969304
2-amino-9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(trifluoromethyl)oxolan-2-yl]-1H-purin-6-one
CID 136967723
2-amino-9-[[(1R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-1H-purin-6-one
CID 163682461
2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol
CID 153365638
2-amino-9-[[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]methyl]-1H-purin-6-one
CID 135993345

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[1-(2-hydroxyethyl)cyclopentyl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[1-(2-hydroxyethyl)cyclopentyl]-1H-purin-6-one (CID 139640968) is 2-amino-9-[1-(2-hydroxyethyl)cyclopentyl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[1-(2-hydroxyethyl)cyclopentyl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[1-(2-hydroxyethyl)cyclopentyl]-1H-purin-6-one is Nc1nc2c(ncn2C2(CCO)CCCC2)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-[1-(2-hydroxyethyl)cyclopentyl]-1H-purin-6-one?
The InChIKey is OZUDVTGWWGGQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c13-11-15-9-8(10(19)16-11)14-7-17(9)12(5-6-18)3-1-2-4-12/h7,18H,1-6H2,(H3,13,15,16,19).
What are the key properties of 2-amino-9-[1-(2-hydroxyethyl)cyclopentyl]-1H-purin-6-one?
2-amino-9-[1-(2-hydroxyethyl)cyclopentyl]-1H-purin-6-one has a molecular weight of 263.30 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[1-(2-hydroxyethyl)cyclopentyl]-1H-purin-6-one is sourced from PubChem (CID 139640968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).