[9-(2-bicyclo[2.2.1]heptanyl)-6-chloropurin-8-yl]methanol

C13H15ClN4O — CID 25117696

IUPAC[9-(2-bicyclo[2.2.1]heptanyl)-6-chloropurin-8-yl]methanol
SMILESOCc1nc2c(Cl)ncnc2n1C1CC2CCC1C2
InChIInChI=1S/C13H15ClN4O/c14-12-11-13(16-6-15-12)18(10(5-19)17-11)9-4-7-1-2-8(9)3-7/h6-9,19H,1-5H2
InChIKeyFKYUDBOMRVNWIC-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.33
Rot. Bonds2

About [9-(2-bicyclo[2.2.1]heptanyl)-6-chloropurin-8-yl]methanol

[9-(2-bicyclo[2.2.1]heptanyl)-6-chloropurin-8-yl]methanol (PubChem CID 25117696) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is [9-(2-bicyclo[2.2.1]heptanyl)-6-chloropurin-8-yl]methanol.

Molecular Properties

Compound Name[9-(2-bicyclo[2.2.1]heptanyl)-6-chloropurin-8-yl]methanol
PubChem CID25117696
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name[9-(2-bicyclo[2.2.1]heptanyl)-6-chloropurin-8-yl]methanol
SMILESOCc1nc2c(Cl)ncnc2n1C1CC2CCC1C2
InChIInChI=1S/C13H15ClN4O/c14-12-11-13(16-6-15-12)18(10(5-19)17-11)9-4-7-1-2-8(9)3-7/h6-9,19H,1-5H2
InChIKeyFKYUDBOMRVNWIC-UHFFFAOYSA-N
XLogP2.33
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [9-(2-bicyclo[2.2.1]heptanyl)-6-chloropurin-8-yl]methanol with MolForge

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Related Compounds

9-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-chloro-8-phenylpurine
CID 56679940
9-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-chloropurine
CID 56676591
3-(2-bicyclo[2.2.1]heptanyl)-7-chlorotriazolo[4,5-d]pyrimidine
CID 25118770
3-[6-chloro-9-(oxolan-2-yl)purin-8-yl]propan-1-ol
CID 90897560
6-chloro-9-cyclopropyl-8-methylpurine
CID 119027078
(2S,3R,5S)-5-(8-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 87921648
9-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-chloropurin-2-amine
CID 56679930
9-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-methylpurine
CID 56679939
7-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-chloropyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 123509345
6-(2-bicyclo[2.2.1]heptanyl)-5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79288120
[3-(6-chloropurin-9-yl)cyclobutyl]methanol
CID 14781912
3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115323096

Frequently Asked Questions

What is the IUPAC name of [9-(2-bicyclo[2.2.1]heptanyl)-6-chloropurin-8-yl]methanol?
The IUPAC name of [9-(2-bicyclo[2.2.1]heptanyl)-6-chloropurin-8-yl]methanol (CID 25117696) is [9-(2-bicyclo[2.2.1]heptanyl)-6-chloropurin-8-yl]methanol.
What is the SMILES notation for [9-(2-bicyclo[2.2.1]heptanyl)-6-chloropurin-8-yl]methanol?
The canonical SMILES for [9-(2-bicyclo[2.2.1]heptanyl)-6-chloropurin-8-yl]methanol is OCc1nc2c(Cl)ncnc2n1C1CC2CCC1C2.
What is the InChIKey of [9-(2-bicyclo[2.2.1]heptanyl)-6-chloropurin-8-yl]methanol?
The InChIKey is FKYUDBOMRVNWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-12-11-13(16-6-15-12)18(10(5-19)17-11)9-4-7-1-2-8(9)3-7/h6-9,19H,1-5H2.
What are the key properties of [9-(2-bicyclo[2.2.1]heptanyl)-6-chloropurin-8-yl]methanol?
[9-(2-bicyclo[2.2.1]heptanyl)-6-chloropurin-8-yl]methanol has a molecular weight of 278.74 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2-bicyclo[2.2.1]heptanyl)-6-chloropurin-8-yl]methanol is sourced from PubChem (CID 25117696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).