6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine

C10H6ClN5S — CID 63588245

IUPAC6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine
SMILESClc1cccc(Sc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C10H6ClN5S/c11-6-2-1-3-7(16-6)17-10-8-9(13-4-12-8)14-5-15-10/h1-5H,(H,12,13,14,15)
InChIKeyRKBACLLJIKKMFY-UHFFFAOYSA-N
MW263.71 g/mol
LogP2.55
Rot. Bonds2

About 6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine

6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine (PubChem CID 63588245) has the molecular formula C10H6ClN5S and a molecular weight of 263.71 g/mol. Its IUPAC name is 6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine.

Molecular Properties

Compound Name6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine
PubChem CID63588245
Molecular FormulaC10H6ClN5S
Molecular Weight263.71 g/mol
Exact Mass263.00
IUPAC Name6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine
SMILESClc1cccc(Sc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C10H6ClN5S/c11-6-2-1-3-7(16-6)17-10-8-9(13-4-12-8)14-5-15-10/h1-5H,(H,12,13,14,15)
InChIKeyRKBACLLJIKKMFY-UHFFFAOYSA-N
XLogP2.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(3-chlorophenyl)sulfanyl-7H-purine
CID 514793
2-chloro-6-(7H-purin-6-ylsulfanyl)pyridine-4-carboxylic acid
CID 62253225
3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine
CID 102988888
5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide
CID 114409591
[5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine
CID 80922564
(1R)-1-[4-(7H-purin-6-ylsulfanyl)phenyl]ethanol
CID 78951419
5-chloro-6-methyl-7-(7H-purin-6-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103077091
[2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80922991
2-bromo-6-(7H-purin-6-ylsulfanyl)benzoic acid
CID 114888782
3-chloro-2-(7H-purin-6-ylsulfanylmethyl)aniline
CID 63746301
6-[(3,5,6-trifluoro-2-pyridinyl)sulfanyl]-7H-purine
CID 114072791
4-chloro-2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidine-5-carbaldehyde
CID 80726670

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine?
The IUPAC name of 6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine (CID 63588245) is 6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine.
What is the SMILES notation for 6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine?
The canonical SMILES for 6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine is Clc1cccc(Sc2ncnc3nc[nH]c23)n1.
What is the InChIKey of 6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine?
The InChIKey is RKBACLLJIKKMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5S/c11-6-2-1-3-7(16-6)17-10-8-9(13-4-12-8)14-5-15-10/h1-5H,(H,12,13,14,15).
What are the key properties of 6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine?
6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine has a molecular weight of 263.71 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine is sourced from PubChem (CID 63588245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).