6-chloro-9-(3-methylcyclopentyl)purine

C11H13ClN4 — CID 171628994

IUPAC6-chloro-9-(3-methylcyclopentyl)purine
SMILESCC1CCC(n2cnc3c(Cl)ncnc32)C1
InChIInChI=1S/C11H13ClN4/c1-7-2-3-8(4-7)16-6-15-9-10(12)13-5-14-11(9)16/h5-8H,2-4H2,1H3
InChIKeyQHDJCILYHLIVMV-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.84
Rot. Bonds1

About 6-chloro-9-(3-methylcyclopentyl)purine

6-chloro-9-(3-methylcyclopentyl)purine (PubChem CID 171628994) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 6-chloro-9-(3-methylcyclopentyl)purine.

Molecular Properties

Compound Name6-chloro-9-(3-methylcyclopentyl)purine
PubChem CID171628994
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name6-chloro-9-(3-methylcyclopentyl)purine
SMILESCC1CCC(n2cnc3c(Cl)ncnc32)C1
InChIInChI=1S/C11H13ClN4/c1-7-2-3-8(4-7)16-6-15-9-10(12)13-5-14-11(9)16/h5-8H,2-4H2,1H3
InChIKeyQHDJCILYHLIVMV-UHFFFAOYSA-N
XLogP2.84
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(6-chloropurin-9-yl)cyclobutyl]methanol
CID 14781912
(4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
CID 87802918
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol
CID 10706154
9-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-chloropurine
CID 56676591
4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol
CID 10999010
3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol
CID 134844933
5-(6-chloropurin-9-yl)-4-methyloxolane-2-carbaldehyde
CID 156542752
2-(6-chloropurin-9-yl)cyclopentan-1-one
CID 166437478
1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106461
6-chloro-9-[(1R,2S,4S)-5,5-difluoro-2-bicyclo[2.2.1]heptanyl]purine
CID 46906150
[(1S,2S,4R)-4-(6-chloropurin-9-yl)-2-ethylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 159359979
2-chloro-9-[(3R)-3-methylcyclopentyl]-N-[(3R)-oxolan-3-yl]purin-6-amine
CID 142067507

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-(3-methylcyclopentyl)purine?
The IUPAC name of 6-chloro-9-(3-methylcyclopentyl)purine (CID 171628994) is 6-chloro-9-(3-methylcyclopentyl)purine.
What is the SMILES notation for 6-chloro-9-(3-methylcyclopentyl)purine?
The canonical SMILES for 6-chloro-9-(3-methylcyclopentyl)purine is CC1CCC(n2cnc3c(Cl)ncnc32)C1.
What is the InChIKey of 6-chloro-9-(3-methylcyclopentyl)purine?
The InChIKey is QHDJCILYHLIVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-7-2-3-8(4-7)16-6-15-9-10(12)13-5-14-11(9)16/h5-8H,2-4H2,1H3.
What are the key properties of 6-chloro-9-(3-methylcyclopentyl)purine?
6-chloro-9-(3-methylcyclopentyl)purine has a molecular weight of 236.71 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-(3-methylcyclopentyl)purine is sourced from PubChem (CID 171628994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).