5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine

C18H22F3N7O2 — CID 58508043

IUPAC5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESC[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C18H22F3N7O2/c1-11-10-30-7-4-28(11)17-25-15(24-16(26-17)27-2-5-29-6-3-27)12-9-23-14(22)8-13(12)18(19,20)21/h8-9,11H,2-7,10H2,1H3,(H2,22,23)/t11-/m1/s1
InChIKeyJYXZSAVFTFWPLY-LLVKDONJSA-N
MW425.42 g/mol
LogP1.60
Rot. Bonds3

About 5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 58508043) has the molecular formula C18H22F3N7O2 and a molecular weight of 425.42 g/mol. Its IUPAC name is 5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID58508043
Molecular FormulaC18H22F3N7O2
Molecular Weight425.42 g/mol
Exact Mass425.18
IUPAC Name5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESC[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C18H22F3N7O2/c1-11-10-30-7-4-28(11)17-25-15(24-16(26-17)27-2-5-29-6-3-27)12-9-23-14(22)8-13(12)18(19,20)21/h8-9,11H,2-7,10H2,1H3,(H2,22,23)/t11-/m1/s1
InChIKeyJYXZSAVFTFWPLY-LLVKDONJSA-N
XLogP1.60
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 58508043) is 5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JYXZSAVFTFWPLY-LLVKDONJSA-N. The full InChI is InChI=1S/C18H22F3N7O2/c1-11-10-30-7-4-28(11)17-25-15(24-16(26-17)27-2-5-29-6-3-27)12-9-23-14(22)8-13(12)18(19,20)21/h8-9,11H,2-7,10H2,1H3,(H2,22,23)/t11-/m1/s1.
What are the key properties of 5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 425.42 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 58508043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).