6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine

C14H14N4OS — CID 140979996

IUPAC6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine
SMILESCC(C)Oc1ccc(Sc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C14H14N4OS/c1-9(2)19-10-3-5-11(6-4-10)20-14-12-13(16-7-15-12)17-8-18-14/h3-9H,1-2H3,(H,15,16,17,18)
InChIKeyZNUIUJULKMRCIO-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.29
Rot. Bonds4

About 6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine

6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine (PubChem CID 140979996) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine.

Molecular Properties

Compound Name6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine
PubChem CID140979996
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine
SMILESCC(C)Oc1ccc(Sc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C14H14N4OS/c1-9(2)19-10-3-5-11(6-4-10)20-14-12-13(16-7-15-12)17-8-18-14/h3-9H,1-2H3,(H,15,16,17,18)
InChIKeyZNUIUJULKMRCIO-UHFFFAOYSA-N
XLogP3.29
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[4-(7H-purin-6-ylsulfanyl)phenyl]ethanol
CID 78951419
6-(2,4-dimethoxyphenyl)sulfanyl-7H-purine
CID 514794
(1S)-1-[5-(7H-purin-6-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938174
6-(3-chlorophenyl)sulfanyl-7H-purine
CID 514793
6-[(4-methylsulfanylphenyl)methylsulfanyl]-7H-purine
CID 146314022
4-methyl-3-(7H-purin-6-ylsulfanyl)aniline
CID 62588886
5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide
CID 115490148
2-amino-5-(7H-purin-6-ylsulfanyl)benzamide
CID 62255044
(1R)-1-[3-fluoro-4-(7H-purin-6-ylsulfanyl)phenyl]ethanol
CID 63835945
1-[4-bromo-2-(7H-purin-6-ylsulfanyl)phenyl]-N-methylethanamine
CID 82954356
6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine
CID 106999464
1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine
CID 62255029

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine?
The IUPAC name of 6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine (CID 140979996) is 6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine.
What is the SMILES notation for 6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine?
The canonical SMILES for 6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine is CC(C)Oc1ccc(Sc2ncnc3nc[nH]c23)cc1.
What is the InChIKey of 6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine?
The InChIKey is ZNUIUJULKMRCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9(2)19-10-3-5-11(6-4-10)20-14-12-13(16-7-15-12)17-8-18-14/h3-9H,1-2H3,(H,15,16,17,18).
What are the key properties of 6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine?
6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine has a molecular weight of 286.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine is sourced from PubChem (CID 140979996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).