4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine

C17H19F3N6O2 — CID 58507712

IUPAC4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)c1cc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccn1
InChIInChI=1S/C17H19F3N6O2/c18-17(19,20)13-11-12(1-2-21-13)14-22-15(25-3-7-27-8-4-25)24-16(23-14)26-5-9-28-10-6-26/h1-2,11H,3-10H2
InChIKeyMPPQLKYJOXMJKC-UHFFFAOYSA-N
MW396.37 g/mol
LogP1.63
Rot. Bonds3

About 4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine

4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine (PubChem CID 58507712) has the molecular formula C17H19F3N6O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is 4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine
PubChem CID58507712
Molecular FormulaC17H19F3N6O2
Molecular Weight396.37 g/mol
Exact Mass396.15
IUPAC Name4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)c1cc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccn1
InChIInChI=1S/C17H19F3N6O2/c18-17(19,20)13-11-12(1-2-21-13)14-22-15(25-3-7-27-8-4-25)24-16(23-14)26-5-9-28-10-6-26/h1-2,11H,3-10H2
InChIKeyMPPQLKYJOXMJKC-UHFFFAOYSA-N
XLogP1.63
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine with MolForge

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Related Compounds

4-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 155800202
4-[4-(4-fluoro-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58507943
[2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine
CID 170724597
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]-2H-1,3-benzoxazole
CID 175800334
3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
CID 123635804
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 46202652
4-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]morpholine
CID 171691128
2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine
CID 122592589
4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154883448
4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine
CID 162764791
1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine
CID 175649905

Frequently Asked Questions

What is the IUPAC name of 4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine (CID 58507712) is 4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine is FC(F)(F)c1cc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccn1.
What is the InChIKey of 4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine?
The InChIKey is MPPQLKYJOXMJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O2/c18-17(19,20)13-11-12(1-2-21-13)14-22-15(25-3-7-27-8-4-25)24-16(23-14)26-5-9-28-10-6-26/h1-2,11H,3-10H2.
What are the key properties of 4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine?
4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine has a molecular weight of 396.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 58507712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).