5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C17H19F3N6O3 — CID 59508001

IUPAC5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(-c2cc(O[C@H]3CCOC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C17H19F3N6O3/c18-17(19,20)14-11(8-22-15(21)25-14)12-7-13(29-10-1-4-28-9-10)24-16(23-12)26-2-5-27-6-3-26/h7-8,10H,1-6,9H2,(H2,21,22,25)/t10-/m0/s1
InChIKeyXWYIHNHGKJMJDT-JTQLQIEISA-N
MW412.37 g/mol
LogP1.54
Rot. Bonds4

About 5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 59508001) has the molecular formula C17H19F3N6O3 and a molecular weight of 412.37 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID59508001
Molecular FormulaC17H19F3N6O3
Molecular Weight412.37 g/mol
Exact Mass412.15
IUPAC Name5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(-c2cc(O[C@H]3CCOC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C17H19F3N6O3/c18-17(19,20)14-11(8-22-15(21)25-14)12-7-13(29-10-1-4-28-9-10)24-16(23-12)26-2-5-27-6-3-26/h7-8,10H,1-6,9H2,(H2,21,22,25)/t10-/m0/s1
InChIKeyXWYIHNHGKJMJDT-JTQLQIEISA-N
XLogP1.54
TPSA108.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 59508001) is 5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is Nc1ncc(-c2cc(O[C@H]3CCOC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1.
What is the InChIKey of 5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is XWYIHNHGKJMJDT-JTQLQIEISA-N. The full InChI is InChI=1S/C17H19F3N6O3/c18-17(19,20)14-11(8-22-15(21)25-14)12-7-13(29-10-1-4-28-9-10)24-16(23-12)26-2-5-27-6-3-26/h7-8,10H,1-6,9H2,(H2,21,22,25)/t10-/m0/s1.
What are the key properties of 5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 412.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 59508001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).