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

C18H23F3N8O2 — CID 76807791

IUPAC5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1CN(c2nc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)CC(C)O1
InChIInChI=1S/C18H23F3N8O2/c1-10-8-29(9-11(2)31-10)17-26-14(25-16(27-17)28-3-5-30-6-4-28)12-7-23-15(22)24-13(12)18(19,20)21/h7,10-11H,3-6,8-9H2,1-2H3,(H2,22,23,24)
InChIKeyDMKVWUCUMWTKLQ-UHFFFAOYSA-N
MW440.43 g/mol
LogP1.38
Rot. Bonds3

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

5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 76807791) has the molecular formula C18H23F3N8O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID76807791
Molecular FormulaC18H23F3N8O2
Molecular Weight440.43 g/mol
Exact Mass440.19
IUPAC Name5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1CN(c2nc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)CC(C)O1
InChIInChI=1S/C18H23F3N8O2/c1-10-8-29(9-11(2)31-10)17-26-14(25-16(27-17)28-3-5-30-6-4-28)12-7-23-15(22)24-13(12)18(19,20)21/h7,10-11H,3-6,8-9H2,1-2H3,(H2,22,23,24)
InChIKeyDMKVWUCUMWTKLQ-UHFFFAOYSA-N
XLogP1.38
TPSA115.41 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 76807791) is 5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine is CC1CN(c2nc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)CC(C)O1.
What is the InChIKey of 5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DMKVWUCUMWTKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N8O2/c1-10-8-29(9-11(2)31-10)17-26-14(25-16(27-17)28-3-5-30-6-4-28)12-7-23-15(22)24-13(12)18(19,20)21/h7,10-11H,3-6,8-9H2,1-2H3,(H2,22,23,24).
What are the key properties of 5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 440.43 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 76807791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).