5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C18H21F3N6O3S — CID 59507946

IUPAC5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCS(=O)(=O)CC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H21F3N6O3S/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-3-7-31(28,29)8-4-26)25-17(24-14)27-1-5-30-6-2-27/h9-11H,1-8H2,(H2,22,23)
InChIKeyUNIZLUCMYNPQFL-UHFFFAOYSA-N
MW458.47 g/mol
LogP1.21
Rot. Bonds3

About 5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 59507946) has the molecular formula C18H21F3N6O3S and a molecular weight of 458.47 g/mol. Its IUPAC name is 5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID59507946
Molecular FormulaC18H21F3N6O3S
Molecular Weight458.47 g/mol
Exact Mass458.13
IUPAC Name5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCS(=O)(=O)CC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H21F3N6O3S/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-3-7-31(28,29)8-4-26)25-17(24-14)27-1-5-30-6-2-27/h9-11H,1-8H2,(H2,22,23)
InChIKeyUNIZLUCMYNPQFL-UHFFFAOYSA-N
XLogP1.21
TPSA114.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 59507946) is 5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(N3CCS(=O)(=O)CC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UNIZLUCMYNPQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O3S/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-3-7-31(28,29)8-4-26)25-17(24-14)27-1-5-30-6-2-27/h9-11H,1-8H2,(H2,22,23).
What are the key properties of 5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 458.47 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59507946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).