4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

C12H10F3N3O2S — CID 23497471

IUPAC4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(N)n2)cc1
InChIInChI=1S/C12H10F3N3O2S/c1-21(19,20)8-4-2-7(3-5-8)9-6-10(12(13,14)15)18-11(16)17-9/h2-6H,1H3,(H2,16,17,18)
InChIKeyYSWMQMATRUHISF-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.15
Rot. Bonds2

About 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 23497471) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID23497471
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(N)n2)cc1
InChIInChI=1S/C12H10F3N3O2S/c1-21(19,20)8-4-2-7(3-5-8)9-6-10(12(13,14)15)18-11(16)17-9/h2-6H,1H3,(H2,16,17,18)
InChIKeyYSWMQMATRUHISF-UHFFFAOYSA-N
XLogP2.15
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 23497471) is 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(N)n2)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is YSWMQMATRUHISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-21(19,20)8-4-2-7(3-5-8)9-6-10(12(13,14)15)18-11(16)17-9/h2-6H,1H3,(H2,16,17,18).
What are the key properties of 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 317.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 23497471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).