4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine

C16H18ClN3OS — CID 19136683

IUPAC4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine
SMILESNc1c(OC2CCCCC2)ncnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3OS/c17-11-6-8-13(9-7-11)22-16-14(18)15(19-10-20-16)21-12-4-2-1-3-5-12/h6-10,12H,1-5,18H2
InChIKeyWIJSXUOLTKELGO-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.57
Rot. Bonds4

About 4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine

4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine (PubChem CID 19136683) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine
PubChem CID19136683
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine
SMILESNc1c(OC2CCCCC2)ncnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3OS/c17-11-6-8-13(9-7-11)22-16-14(18)15(19-10-20-16)21-12-4-2-1-3-5-12/h6-10,12H,1-5,18H2
InChIKeyWIJSXUOLTKELGO-UHFFFAOYSA-N
XLogP4.57
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine (CID 19136683) is 4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine is Nc1c(OC2CCCCC2)ncnc1Sc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine?
The InChIKey is WIJSXUOLTKELGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c17-11-6-8-13(9-7-11)22-16-14(18)15(19-10-20-16)21-12-4-2-1-3-5-12/h6-10,12H,1-5,18H2.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine?
4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine has a molecular weight of 335.86 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine is sourced from PubChem (CID 19136683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).