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

C21H26F3N5O3S — CID 121428502

IUPAC5-[6-(1-methylsulfonylcyclohexyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CCCCC1
InChIInChI=1S/C21H26F3N5O3S/c1-33(30,31)20(5-3-2-4-6-20)17-12-16(27-19(28-17)29-7-9-32-10-8-29)14-13-26-18(25)11-15(14)21(22,23)24/h11-13H,2-10H2,1H3,(H2,25,26)
InChIKeyPEAIAQIDLBELBZ-UHFFFAOYSA-N
MW485.53 g/mol
LogP3.18
Rot. Bonds4

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

5-[6-(1-methylsulfonylcyclohexyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 121428502) has the molecular formula C21H26F3N5O3S and a molecular weight of 485.53 g/mol. Its IUPAC name is 5-[6-(1-methylsulfonylcyclohexyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[6-(1-methylsulfonylcyclohexyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID121428502
Molecular FormulaC21H26F3N5O3S
Molecular Weight485.53 g/mol
Exact Mass485.17
IUPAC Name5-[6-(1-methylsulfonylcyclohexyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CCCCC1
InChIInChI=1S/C21H26F3N5O3S/c1-33(30,31)20(5-3-2-4-6-20)17-12-16(27-19(28-17)29-7-9-32-10-8-29)14-13-26-18(25)11-15(14)21(22,23)24/h11-13H,2-10H2,1H3,(H2,25,26)
InChIKeyPEAIAQIDLBELBZ-UHFFFAOYSA-N
XLogP3.18
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(1-methylsulfonylcyclohexyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[6-(1-methylsulfonylcyclohexyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 121428502) is 5-[6-(1-methylsulfonylcyclohexyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[6-(1-methylsulfonylcyclohexyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[6-(1-methylsulfonylcyclohexyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is CS(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CCCCC1.
What is the InChIKey of 5-[6-(1-methylsulfonylcyclohexyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PEAIAQIDLBELBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5O3S/c1-33(30,31)20(5-3-2-4-6-20)17-12-16(27-19(28-17)29-7-9-32-10-8-29)14-13-26-18(25)11-15(14)21(22,23)24/h11-13H,2-10H2,1H3,(H2,25,26).
What are the key properties of 5-[6-(1-methylsulfonylcyclohexyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[6-(1-methylsulfonylcyclohexyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 485.53 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(1-methylsulfonylcyclohexyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 121428502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).