[(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol

C12H15ClN4O — CID 15450648

IUPAC[(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol
SMILESOC[C@H]1CCC[C@H]1Cn1cnc2c(Cl)ncnc21
InChIInChI=1S/C12H15ClN4O/c13-11-10-12(15-6-14-11)17(7-16-10)4-8-2-1-3-9(8)5-18/h6-9,18H,1-5H2/t8-,9+/m0/s1
InChIKeyHQVGJBXMHOKQJH-DTWKUNHWSA-N
MW266.73 g/mol
LogP1.89
Rot. Bonds3

About [(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol

[(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol (PubChem CID 15450648) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is [(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol
PubChem CID15450648
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name[(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol
SMILESOC[C@H]1CCC[C@H]1Cn1cnc2c(Cl)ncnc21
InChIInChI=1S/C12H15ClN4O/c13-11-10-12(15-6-14-11)17(7-16-10)4-8-2-1-3-9(8)5-18/h6-9,18H,1-5H2/t8-,9+/m0/s1
InChIKeyHQVGJBXMHOKQJH-DTWKUNHWSA-N
XLogP1.89
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol
CID 102426371
9-[(6-chloropurin-9-yl)methyl]-4-oxatricyclo[4.2.1.03,7]nonan-2-ol
CID 25121590
(4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
CID 87802918
[(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol
CID 10468389
(1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol
CID 101423148
2-amino-9-[[(2S)-2-(hydroxymethyl)cyclohexyl]methyl]-1H-purin-6-one
CID 135625260
[3-(6-chloropurin-9-yl)cyclobutyl]methanol
CID 14781912
1-[[2-(hydroxymethyl)cyclohexyl]methyl]benzimidazole-4-carboxylic acid
CID 115543824
tert-butyl 4-[(6-chloropurin-9-yl)methyl]piperidine-1-carboxylate
CID 22309587
[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145902
[(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol
CID 139633326
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol?
The IUPAC name of [(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol (CID 15450648) is [(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol.
What is the SMILES notation for [(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol?
The canonical SMILES for [(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol is OC[C@H]1CCC[C@H]1Cn1cnc2c(Cl)ncnc21.
What is the InChIKey of [(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol?
The InChIKey is HQVGJBXMHOKQJH-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H15ClN4O/c13-11-10-12(15-6-14-11)17(7-16-10)4-8-2-1-3-9(8)5-18/h6-9,18H,1-5H2/t8-,9+/m0/s1.
What are the key properties of [(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol?
[(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol has a molecular weight of 266.73 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol is sourced from PubChem (CID 15450648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).