5-[2-morpholin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C17H15F3N6OS — CID 59507894

About 5-[2-morpholin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[2-morpholin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 59507894) has the molecular formula C17H15F3N6OS and a molecular weight of 408.41 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[2-morpholin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 59507894
• Molecular Formula: C17H15F3N6OS
• Molecular Weight: 408.41 g/mol
• Exact Mass: 408.10
• IUPAC Name: 5-[2-morpholin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
• SMILES: Nc1cc(C(F)(F)F)c(-c2cc(-c3nccs3)nc(N3CCOCC3)n2)cn1
• InChI: InChI=1S/C17H15F3N6OS/c18-17(19,20)11-7-14(21)23-9-10(11)12-8-13(15-22-1-6-28-15)25-16(24-12)26-2-4-27-5-3-26/h1,6-9H,2-5H2,(H2,21,23)
• InChIKey: AJGLGJYAZLAKJH-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 90.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.41
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-morpholin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 5-[2-morpholin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 59507894) is 5-[2-morpholin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 5-[2-morpholin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 5-[2-morpholin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(-c3nccs3)nc(N3CCOCC3)n2)cn1.

What is the InChIKey of 5-[2-morpholin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?

The InChIKey is AJGLGJYAZLAKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6OS/c18-17(19,20)11-7-14(21)23-9-10(11)12-8-13(15-22-1-6-28-15)25-16(24-12)26-2-4-27-5-3-26/h1,6-9H,2-5H2,(H2,21,23).

What are the key properties of 5-[2-morpholin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?

5-[2-morpholin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 408.41 g/mol, XLogP of 3.10, 3 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-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59507894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).