8-(2-bicyclo[2.2.1]heptanyl)-2-chloro-7H-purine

C12H13ClN4 — CID 19417931

IUPAC8-(2-bicyclo[2.2.1]heptanyl)-2-chloro-7H-purine
SMILESClc1ncc2[nH]c(C3CC4CCC3C4)nc2n1
InChIInChI=1S/C12H13ClN4/c13-12-14-5-9-11(17-12)16-10(15-9)8-4-6-1-2-7(8)3-6/h5-8H,1-4H2,(H,14,15,16,17)
InChIKeyUOTNJZIEJSLQHG-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.91
Rot. Bonds1

About 8-(2-bicyclo[2.2.1]heptanyl)-2-chloro-7H-purine

8-(2-bicyclo[2.2.1]heptanyl)-2-chloro-7H-purine (PubChem CID 19417931) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 8-(2-bicyclo[2.2.1]heptanyl)-2-chloro-7H-purine.

Molecular Properties

Compound Name8-(2-bicyclo[2.2.1]heptanyl)-2-chloro-7H-purine
PubChem CID19417931
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name8-(2-bicyclo[2.2.1]heptanyl)-2-chloro-7H-purine
SMILESClc1ncc2[nH]c(C3CC4CCC3C4)nc2n1
InChIInChI=1S/C12H13ClN4/c13-12-14-5-9-11(17-12)16-10(15-9)8-4-6-1-2-7(8)3-6/h5-8H,1-4H2,(H,14,15,16,17)
InChIKeyUOTNJZIEJSLQHG-UHFFFAOYSA-N
XLogP2.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(2-bicyclo[2.2.1]heptanyl)-2-chloro-7H-purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-bromo-1H-imidazole
CID 159126211
2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole
CID 65018013
2-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-1H-benzimidazole
CID 67368518
2-(2-bicyclo[2.2.1]heptanyl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478610
3-(2-bicyclo[2.2.1]heptanyl)-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 61366140
N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 79075583
2-chloro-7H-purine;hydrobromide
CID 172776309
2-(7H-purin-8-yl)cyclopentan-1-amine
CID 114402064
2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-tert-butyl-1H-pyrimidine-4-thione
CID 106479515
8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione
CID 10359295
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine
CID 79073593
6-chloro-2-cyclohexyl-1H-imidazo[4,5-b]pyridine
CID 82142257

Frequently Asked Questions

What is the IUPAC name of 8-(2-bicyclo[2.2.1]heptanyl)-2-chloro-7H-purine?
The IUPAC name of 8-(2-bicyclo[2.2.1]heptanyl)-2-chloro-7H-purine (CID 19417931) is 8-(2-bicyclo[2.2.1]heptanyl)-2-chloro-7H-purine.
What is the SMILES notation for 8-(2-bicyclo[2.2.1]heptanyl)-2-chloro-7H-purine?
The canonical SMILES for 8-(2-bicyclo[2.2.1]heptanyl)-2-chloro-7H-purine is Clc1ncc2[nH]c(C3CC4CCC3C4)nc2n1.
What is the InChIKey of 8-(2-bicyclo[2.2.1]heptanyl)-2-chloro-7H-purine?
The InChIKey is UOTNJZIEJSLQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c13-12-14-5-9-11(17-12)16-10(15-9)8-4-6-1-2-7(8)3-6/h5-8H,1-4H2,(H,14,15,16,17).
What are the key properties of 8-(2-bicyclo[2.2.1]heptanyl)-2-chloro-7H-purine?
8-(2-bicyclo[2.2.1]heptanyl)-2-chloro-7H-purine has a molecular weight of 248.72 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bicyclo[2.2.1]heptanyl)-2-chloro-7H-purine is sourced from PubChem (CID 19417931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).