6-(cyclohexylmethoxy)-N-(4-methylsulfinylphenyl)-7H-purin-2-amine

C19H23N5O2S — CID 5329565

IUPAC6-(cyclohexylmethoxy)-N-(4-methylsulfinylphenyl)-7H-purin-2-amine
SMILESCS(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C19H23N5O2S/c1-27(25)15-9-7-14(8-10-15)22-19-23-17-16(20-12-21-17)18(24-19)26-11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H2,20,21,22,23,24)
InChIKeyUTGQWJIIGZIEDP-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.79
Rot. Bonds6

About 6-(cyclohexylmethoxy)-N-(4-methylsulfinylphenyl)-7H-purin-2-amine

6-(cyclohexylmethoxy)-N-(4-methylsulfinylphenyl)-7H-purin-2-amine (PubChem CID 5329565) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 6-(cyclohexylmethoxy)-N-(4-methylsulfinylphenyl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(cyclohexylmethoxy)-N-(4-methylsulfinylphenyl)-7H-purin-2-amine
PubChem CID5329565
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name6-(cyclohexylmethoxy)-N-(4-methylsulfinylphenyl)-7H-purin-2-amine
SMILESCS(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C19H23N5O2S/c1-27(25)15-9-7-14(8-10-15)22-19-23-17-16(20-12-21-17)18(24-19)26-11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H2,20,21,22,23,24)
InChIKeyUTGQWJIIGZIEDP-UHFFFAOYSA-N
XLogP3.79
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethoxy)-N-(4-methylsulfinylphenyl)-7H-purin-2-amine?
The IUPAC name of 6-(cyclohexylmethoxy)-N-(4-methylsulfinylphenyl)-7H-purin-2-amine (CID 5329565) is 6-(cyclohexylmethoxy)-N-(4-methylsulfinylphenyl)-7H-purin-2-amine.
What is the SMILES notation for 6-(cyclohexylmethoxy)-N-(4-methylsulfinylphenyl)-7H-purin-2-amine?
The canonical SMILES for 6-(cyclohexylmethoxy)-N-(4-methylsulfinylphenyl)-7H-purin-2-amine is CS(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 6-(cyclohexylmethoxy)-N-(4-methylsulfinylphenyl)-7H-purin-2-amine?
The InChIKey is UTGQWJIIGZIEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-27(25)15-9-7-14(8-10-15)22-19-23-17-16(20-12-21-17)18(24-19)26-11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 6-(cyclohexylmethoxy)-N-(4-methylsulfinylphenyl)-7H-purin-2-amine?
6-(cyclohexylmethoxy)-N-(4-methylsulfinylphenyl)-7H-purin-2-amine has a molecular weight of 385.49 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethoxy)-N-(4-methylsulfinylphenyl)-7H-purin-2-amine is sourced from PubChem (CID 5329565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).