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

C19H24F3N7O2 — CID 58507929

IUPAC5-[4-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESC[C@@H]1COC[C@H](C)N1c1nc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C19H24F3N7O2/c1-11-9-31-10-12(2)29(11)18-26-16(25-17(27-18)28-3-5-30-6-4-28)13-8-24-15(23)7-14(13)19(20,21)22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,23,24)/t11-,12+
InChIKeyDNBPRGCUSJNFMA-TXEJJXNPSA-N
MW439.44 g/mol
LogP1.98
Rot. Bonds3

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

5-[4-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 58507929) has the molecular formula C19H24F3N7O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 5-[4-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[4-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID58507929
Molecular FormulaC19H24F3N7O2
Molecular Weight439.44 g/mol
Exact Mass439.19
IUPAC Name5-[4-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESC[C@@H]1COC[C@H](C)N1c1nc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C19H24F3N7O2/c1-11-9-31-10-12(2)29(11)18-26-16(25-17(27-18)28-3-5-30-6-4-28)13-8-24-15(23)7-14(13)19(20,21)22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,23,24)/t11-,12+
InChIKeyDNBPRGCUSJNFMA-TXEJJXNPSA-N
XLogP1.98
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[4-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 58507929) is 5-[4-[(3R,5S)-3,5-dimethylmorpholin-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,5S)-3,5-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[4-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is C[C@@H]1COC[C@H](C)N1c1nc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 5-[4-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DNBPRGCUSJNFMA-TXEJJXNPSA-N. The full InChI is InChI=1S/C19H24F3N7O2/c1-11-9-31-10-12(2)29(11)18-26-16(25-17(27-18)28-3-5-30-6-4-28)13-8-24-15(23)7-14(13)19(20,21)22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,23,24)/t11-,12+.
What are the key properties of 5-[4-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[4-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 439.44 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 58507929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).