5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine

C11H10ClN3O3S — CID 80874158

IUPAC5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(Oc2nc(N)ncc2Cl)cc1
InChIInChI=1S/C11H10ClN3O3S/c1-19(16,17)8-4-2-7(3-5-8)18-10-9(12)6-14-11(13)15-10/h2-6H,1H3,(H2,13,14,15)
InChIKeyIQXCXPMJRRKREG-UHFFFAOYSA-N
MW299.74 g/mol
LogP1.91
Rot. Bonds3

About 5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine

5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine (PubChem CID 80874158) has the molecular formula C11H10ClN3O3S and a molecular weight of 299.74 g/mol. Its IUPAC name is 5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine
PubChem CID80874158
Molecular FormulaC11H10ClN3O3S
Molecular Weight299.74 g/mol
Exact Mass299.01
IUPAC Name5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(Oc2nc(N)ncc2Cl)cc1
InChIInChI=1S/C11H10ClN3O3S/c1-19(16,17)8-4-2-7(3-5-8)18-10-9(12)6-14-11(13)15-10/h2-6H,1H3,(H2,13,14,15)
InChIKeyIQXCXPMJRRKREG-UHFFFAOYSA-N
XLogP1.91
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine (CID 80874158) is 5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine is CS(=O)(=O)c1ccc(Oc2nc(N)ncc2Cl)cc1.
What is the InChIKey of 5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine?
The InChIKey is IQXCXPMJRRKREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S/c1-19(16,17)8-4-2-7(3-5-8)18-10-9(12)6-14-11(13)15-10/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine?
5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine has a molecular weight of 299.74 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80874158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).