2-propylsulfinyl-7H-purine

C8H10N4OS — CID 172749553

IUPAC2-propylsulfinyl-7H-purine
SMILESCCCS(=O)c1ncc2[nH]cnc2n1
InChIInChI=1S/C8H10N4OS/c1-2-3-14(13)8-9-4-6-7(12-8)11-5-10-6/h4-5H,2-3H2,1H3,(H,9,10,11,12)
InChIKeyBYAZEIQCIZRCML-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.87
Rot. Bonds3

About 2-propylsulfinyl-7H-purine

2-propylsulfinyl-7H-purine (PubChem CID 172749553) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-propylsulfinyl-7H-purine.

Molecular Properties

Compound Name2-propylsulfinyl-7H-purine
PubChem CID172749553
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name2-propylsulfinyl-7H-purine
SMILESCCCS(=O)c1ncc2[nH]cnc2n1
InChIInChI=1S/C8H10N4OS/c1-2-3-14(13)8-9-4-6-7(12-8)11-5-10-6/h4-5H,2-3H2,1H3,(H,9,10,11,12)
InChIKeyBYAZEIQCIZRCML-UHFFFAOYSA-N
XLogP0.87
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylselanyl-7H-purine
CID 87266635
2-propyl-7H-purine;hydrochloride
CID 18353371
N,N-diethyl-7H-purin-2-amine
CID 22916630
2-chloro-7H-purine;hydrobromide
CID 172776309
7H-purine-2-sulfonamide
CID 3276405
2-(2,2-dimethylpropoxy)-7H-purine
CID 68938399
7H-purine-2-carboxylic acid;hydrochloride
CID 162322232
5,6-diethyl-1H-imidazo[4,5-b]pyridine
CID 89128817
ethanol;7H-purine
CID 134205486
2-(1-ethylpyrazol-4-yl)-7H-purine
CID 150929299
methyl 2-(7H-purin-2-ylsulfanyl)acetate
CID 67767931
7H-purine-2-carbonitrile;hydrochloride
CID 162321507

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfinyl-7H-purine?
The IUPAC name of 2-propylsulfinyl-7H-purine (CID 172749553) is 2-propylsulfinyl-7H-purine.
What is the SMILES notation for 2-propylsulfinyl-7H-purine?
The canonical SMILES for 2-propylsulfinyl-7H-purine is CCCS(=O)c1ncc2[nH]cnc2n1.
What is the InChIKey of 2-propylsulfinyl-7H-purine?
The InChIKey is BYAZEIQCIZRCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-2-3-14(13)8-9-4-6-7(12-8)11-5-10-6/h4-5H,2-3H2,1H3,(H,9,10,11,12).
What are the key properties of 2-propylsulfinyl-7H-purine?
2-propylsulfinyl-7H-purine has a molecular weight of 210.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfinyl-7H-purine is sourced from PubChem (CID 172749553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).