6-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C21H19F3N4O4S — CID 58560892

IUPAC6-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESO=S(=O)(c1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1)N1CCOCC1
InChIInChI=1S/C21H19F3N4O4S/c22-21(23,24)32-17-5-3-16(4-6-17)27-20-13-19(25-14-26-20)15-1-7-18(8-2-15)33(29,30)28-9-11-31-12-10-28/h1-8,13-14H,9-12H2,(H,25,26,27)
InChIKeyOWYKLWUJPPDZMV-UHFFFAOYSA-N
MW480.47 g/mol
LogP3.81
Rot. Bonds6

About 6-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

6-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 58560892) has the molecular formula C21H19F3N4O4S and a molecular weight of 480.47 g/mol. Its IUPAC name is 6-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID58560892
Molecular FormulaC21H19F3N4O4S
Molecular Weight480.47 g/mol
Exact Mass480.11
IUPAC Name6-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESO=S(=O)(c1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1)N1CCOCC1
InChIInChI=1S/C21H19F3N4O4S/c22-21(23,24)32-17-5-3-16(4-6-17)27-20-13-19(25-14-26-20)15-1-7-18(8-2-15)33(29,30)28-9-11-31-12-10-28/h1-8,13-14H,9-12H2,(H,25,26,27)
InChIKeyOWYKLWUJPPDZMV-UHFFFAOYSA-N
XLogP3.81
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 58560892) is 6-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is O=S(=O)(c1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1)N1CCOCC1.
What is the InChIKey of 6-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is OWYKLWUJPPDZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O4S/c22-21(23,24)32-17-5-3-16(4-6-17)27-20-13-19(25-14-26-20)15-1-7-18(8-2-15)33(29,30)28-9-11-31-12-10-28/h1-8,13-14H,9-12H2,(H,25,26,27).
What are the key properties of 6-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
6-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 480.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 58560892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).