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

C19H24F3N7O2 — CID 137453801

IUPAC5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESC[C@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOC[C@@H]2C)n1
InChIInChI=1S/C19H24F3N7O2/c1-11-9-30-5-3-28(11)17-25-16(13-8-24-15(23)7-14(13)19(20,21)22)26-18(27-17)29-4-6-31-10-12(29)2/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,23,24)/t11-,12-/m0/s1
InChIKeyMWOTYENQWQSOQV-RYUDHWBXSA-N
MW439.44 g/mol
LogP1.98
Rot. Bonds3

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

5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 137453801) has the molecular formula C19H24F3N7O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID137453801
Molecular FormulaC19H24F3N7O2
Molecular Weight439.44 g/mol
Exact Mass439.19
IUPAC Name5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESC[C@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOC[C@@H]2C)n1
InChIInChI=1S/C19H24F3N7O2/c1-11-9-30-5-3-28(11)17-25-16(13-8-24-15(23)7-14(13)19(20,21)22)26-18(27-17)29-4-6-31-10-12(29)2/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,23,24)/t11-,12-/m0/s1
InChIKeyMWOTYENQWQSOQV-RYUDHWBXSA-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

Analyze 5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 16654980
CID 16654980
CID 58507717
CID 58507717
CID 121334520
CID 121334520
CID 121334433
CID 121334433
CID 58508157
CID 58508157
CID 46884583
CID 46884583
CID 121334440
CID 121334440
CID 121334501
CID 121334501
CID 9585790
CID 9585790
CID 24783403
CID 24783403
CID 24783656
CID 24783656
CID 25009673
CID 25009673

Frequently Asked Questions

What is the IUPAC name of 5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 137453801) is 5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[4,6-bis[(3S)-3-methylmorpholin-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(N2CCOC[C@@H]2C)n1.
What is the InChIKey of 5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MWOTYENQWQSOQV-RYUDHWBXSA-N. The full InChI is InChI=1S/C19H24F3N7O2/c1-11-9-30-5-3-28(11)17-25-16(13-8-24-15(23)7-14(13)19(20,21)22)26-18(27-17)29-4-6-31-10-12(29)2/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,23,24)/t11-,12-/m0/s1.
What are the key properties of 5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[4,6-bis[(3S)-3-methylmorpholin-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-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 137453801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).