5-[2-morpholin-4-yl-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C25H24F6N6O2 — CID 59507759

IUPAC5-[2-morpholin-4-yl-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCOC(c4ccc(C(F)(F)F)cc4)C3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C25H24F6N6O2/c26-24(27,28)16-3-1-15(2-4-16)20-14-37(7-10-39-20)22-12-19(34-23(35-22)36-5-8-38-9-6-36)17-13-33-21(32)11-18(17)25(29,30)31/h1-4,11-13,20H,5-10,14H2,(H2,32,33)
InChIKeyRQOYGGOCIGMRID-UHFFFAOYSA-N
MW554.50 g/mol
LogP4.57
Rot. Bonds4

About 5-[2-morpholin-4-yl-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[2-morpholin-4-yl-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 59507759) has the molecular formula C25H24F6N6O2 and a molecular weight of 554.50 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-morpholin-4-yl-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID59507759
Molecular FormulaC25H24F6N6O2
Molecular Weight554.50 g/mol
Exact Mass554.19
IUPAC Name5-[2-morpholin-4-yl-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCOC(c4ccc(C(F)(F)F)cc4)C3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C25H24F6N6O2/c26-24(27,28)16-3-1-15(2-4-16)20-14-37(7-10-39-20)22-12-19(34-23(35-22)36-5-8-38-9-6-36)17-13-33-21(32)11-18(17)25(29,30)31/h1-4,11-13,20H,5-10,14H2,(H2,32,33)
InChIKeyRQOYGGOCIGMRID-UHFFFAOYSA-N
XLogP4.57
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-morpholin-4-yl-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-morpholin-4-yl-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 59507759) is 5-[2-morpholin-4-yl-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-morpholin-4-yl-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-morpholin-4-yl-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(N3CCOC(c4ccc(C(F)(F)F)cc4)C3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[2-morpholin-4-yl-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RQOYGGOCIGMRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F6N6O2/c26-24(27,28)16-3-1-15(2-4-16)20-14-37(7-10-39-20)22-12-19(34-23(35-22)36-5-8-38-9-6-36)17-13-33-21(32)11-18(17)25(29,30)31/h1-4,11-13,20H,5-10,14H2,(H2,32,33).
What are the key properties of 5-[2-morpholin-4-yl-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[2-morpholin-4-yl-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 554.50 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-morpholin-4-yl-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59507759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).