5-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C17H19F3N8O2 — CID 53468824

IUPAC5-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc(N3CC4(COC4)C3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C17H19F3N8O2/c18-17(19,20)11-10(5-22-13(21)23-11)12-24-14(27-1-3-29-4-2-27)26-15(25-12)28-6-16(7-28)8-30-9-16/h5H,1-4,6-9H2,(H2,21,22,23)
InChIKeyWJLMOWBUJZVEQB-UHFFFAOYSA-N
MW424.39 g/mol
LogP0.60
Rot. Bonds3

About 5-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine

5-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 53468824) has the molecular formula C17H19F3N8O2 and a molecular weight of 424.39 g/mol. Its IUPAC name is 5-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID53468824
Molecular FormulaC17H19F3N8O2
Molecular Weight424.39 g/mol
Exact Mass424.16
IUPAC Name5-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc(N3CC4(COC4)C3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C17H19F3N8O2/c18-17(19,20)11-10(5-22-13(21)23-11)12-24-14(27-1-3-29-4-2-27)26-15(25-12)28-6-16(7-28)8-30-9-16/h5H,1-4,6-9H2,(H2,21,22,23)
InChIKeyWJLMOWBUJZVEQB-UHFFFAOYSA-N
XLogP0.60
TPSA115.41 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 53468824) is 5-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)nc(N3CC4(COC4)C3)n2)c(C(F)(F)F)n1.
What is the InChIKey of 5-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WJLMOWBUJZVEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N8O2/c18-17(19,20)11-10(5-22-13(21)23-11)12-24-14(27-1-3-29-4-2-27)26-15(25-12)28-6-16(7-28)8-30-9-16/h5H,1-4,6-9H2,(H2,21,22,23).
What are the key properties of 5-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
5-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 424.39 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 53468824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).