5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C20H26F3N5O3S — CID 121428467

IUPAC5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)S(=O)(=O)C(C)(C)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C20H26F3N5O3S/c1-12(2)32(29,30)19(3,4)16-10-15(26-18(27-16)28-5-7-31-8-6-28)13-11-25-17(24)9-14(13)20(21,22)23/h9-12H,5-8H2,1-4H3,(H2,24,25)
InChIKeyBTOIEYWISNDPOS-UHFFFAOYSA-N
MW473.52 g/mol
LogP3.03
Rot. Bonds5

About 5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 121428467) has the molecular formula C20H26F3N5O3S and a molecular weight of 473.52 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID121428467
Molecular FormulaC20H26F3N5O3S
Molecular Weight473.52 g/mol
Exact Mass473.17
IUPAC Name5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)S(=O)(=O)C(C)(C)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C20H26F3N5O3S/c1-12(2)32(29,30)19(3,4)16-10-15(26-18(27-16)28-5-7-31-8-6-28)13-11-25-17(24)9-14(13)20(21,22)23/h9-12H,5-8H2,1-4H3,(H2,24,25)
InChIKeyBTOIEYWISNDPOS-UHFFFAOYSA-N
XLogP3.03
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 121428467) is 5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is CC(C)S(=O)(=O)C(C)(C)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BTOIEYWISNDPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O3S/c1-12(2)32(29,30)19(3,4)16-10-15(26-18(27-16)28-5-7-31-8-6-28)13-11-25-17(24)9-14(13)20(21,22)23/h9-12H,5-8H2,1-4H3,(H2,24,25).
What are the key properties of 5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 473.52 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 121428467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).