5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C20H24F3N5O3S — CID 121428506

IUPAC5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)S(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C20H24F3N5O3S/c1-12(2)32(29,30)19(3-4-19)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,3-8H2,1-2H3,(H2,24,25)
InChIKeyRDYWKKDTYJYIFF-UHFFFAOYSA-N
MW471.51 g/mol
LogP2.79
Rot. Bonds5

About 5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 121428506) has the molecular formula C20H24F3N5O3S and a molecular weight of 471.51 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID121428506
Molecular FormulaC20H24F3N5O3S
Molecular Weight471.51 g/mol
Exact Mass471.16
IUPAC Name5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)S(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C20H24F3N5O3S/c1-12(2)32(29,30)19(3-4-19)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,3-8H2,1-2H3,(H2,24,25)
InChIKeyRDYWKKDTYJYIFF-UHFFFAOYSA-N
XLogP2.79
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 52.79
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-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 121428506) is 5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is CC(C)S(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RDYWKKDTYJYIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O3S/c1-12(2)32(29,30)19(3-4-19)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,3-8H2,1-2H3,(H2,24,25).
What are the key properties of 5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 471.51 g/mol, XLogP of 2.79, 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-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 121428506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).