2-chloro-6-pyrimidin-2-ylsulfanyl-7H-purine

C9H5ClN6S — CID 11448461

IUPAC2-chloro-6-pyrimidin-2-ylsulfanyl-7H-purine
SMILESClc1nc(Sc2ncccn2)c2[nH]cnc2n1
InChIInChI=1S/C9H5ClN6S/c10-8-15-6-5(13-4-14-6)7(16-8)17-9-11-2-1-3-12-9/h1-4H,(H,13,14,15,16)
InChIKeyGTXFVXVOYJCJOD-UHFFFAOYSA-N
MW264.70 g/mol
LogP1.95
Rot. Bonds2

About 2-chloro-6-pyrimidin-2-ylsulfanyl-7H-purine

2-chloro-6-pyrimidin-2-ylsulfanyl-7H-purine (PubChem CID 11448461) has the molecular formula C9H5ClN6S and a molecular weight of 264.70 g/mol. Its IUPAC name is 2-chloro-6-pyrimidin-2-ylsulfanyl-7H-purine.

Molecular Properties

Compound Name2-chloro-6-pyrimidin-2-ylsulfanyl-7H-purine
PubChem CID11448461
Molecular FormulaC9H5ClN6S
Molecular Weight264.70 g/mol
Exact Mass264.00
IUPAC Name2-chloro-6-pyrimidin-2-ylsulfanyl-7H-purine
SMILESClc1nc(Sc2ncccn2)c2[nH]cnc2n1
InChIInChI=1S/C9H5ClN6S/c10-8-15-6-5(13-4-14-6)7(16-8)17-9-11-2-1-3-12-9/h1-4H,(H,13,14,15,16)
InChIKeyGTXFVXVOYJCJOD-UHFFFAOYSA-N
XLogP1.95
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.70
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-pyrimidin-2-ylsulfanyl-7H-purine?
The IUPAC name of 2-chloro-6-pyrimidin-2-ylsulfanyl-7H-purine (CID 11448461) is 2-chloro-6-pyrimidin-2-ylsulfanyl-7H-purine.
What is the SMILES notation for 2-chloro-6-pyrimidin-2-ylsulfanyl-7H-purine?
The canonical SMILES for 2-chloro-6-pyrimidin-2-ylsulfanyl-7H-purine is Clc1nc(Sc2ncccn2)c2[nH]cnc2n1.
What is the InChIKey of 2-chloro-6-pyrimidin-2-ylsulfanyl-7H-purine?
The InChIKey is GTXFVXVOYJCJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN6S/c10-8-15-6-5(13-4-14-6)7(16-8)17-9-11-2-1-3-12-9/h1-4H,(H,13,14,15,16).
What are the key properties of 2-chloro-6-pyrimidin-2-ylsulfanyl-7H-purine?
2-chloro-6-pyrimidin-2-ylsulfanyl-7H-purine has a molecular weight of 264.70 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-pyrimidin-2-ylsulfanyl-7H-purine is sourced from PubChem (CID 11448461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).