2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one

C11H15N5O2 — CID 136880790

IUPAC2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
SMILESNc1nc2c(ncn2[C@@H]2CCC[C@H]2CO)c(=O)[nH]1
InChIInChI=1S/C11H15N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-3-1-2-6(7)4-17/h5-7,17H,1-4H2,(H3,12,14,15,18)/t6-,7+/m0/s1
InChIKeyMEZRKQQCOBQFMS-NKWVEPMBSA-N
MW249.27 g/mol
LogP0.04
Rot. Bonds2

About 2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one

2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one (PubChem CID 136880790) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
PubChem CID136880790
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
SMILESNc1nc2c(ncn2[C@@H]2CCC[C@H]2CO)c(=O)[nH]1
InChIInChI=1S/C11H15N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-3-1-2-6(7)4-17/h5-7,17H,1-4H2,(H3,12,14,15,18)/t6-,7+/m0/s1
InChIKeyMEZRKQQCOBQFMS-NKWVEPMBSA-N
XLogP0.04
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-9-[(1R,2R)-2-hydroxycycloheptyl]-1H-purin-6-one
CID 135439454
2-amino-9-[(1S,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-1H-purin-6-one;phosphoric acid
CID 173009169
2-amino-9-[(1S,2S,3S,4S)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
CID 135845086
2-amino-9-[[(2S)-2-(hydroxymethyl)cyclohexyl]methyl]-1H-purin-6-one
CID 135625260
2-amino-9-cyclohex-2-en-1-yl-1H-purin-6-one
CID 136682612
2-amino-9-cyclopentyl-1H-purin-6-one
CID 135408673
[(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol
CID 139633326
2-amino-9-[(1R,4S,5R)-4,5-bis(hydroxymethyl)cyclohex-2-en-1-yl]-1H-purin-6-one
CID 136675494
2-amino-9-[3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one
CID 137138622
2-amino-9-[(1R,5S)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hexanyl]-1H-purin-6-one
CID 135400904
2-amino-9-[4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
CID 135403630
2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one
CID 135565717

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one (CID 136880790) is 2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one is Nc1nc2c(ncn2[C@@H]2CCC[C@H]2CO)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one?
The InChIKey is MEZRKQQCOBQFMS-NKWVEPMBSA-N. The full InChI is InChI=1S/C11H15N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-3-1-2-6(7)4-17/h5-7,17H,1-4H2,(H3,12,14,15,18)/t6-,7+/m0/s1.
What are the key properties of 2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one?
2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one has a molecular weight of 249.27 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one is sourced from PubChem (CID 136880790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).