2-(morpholin-4-ylmethyl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

C24H21F3N6O — CID 11751668

IUPAC2-(morpholin-4-ylmethyl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2cc(-c3ccc4cccnc4c3)nc(CN3CCOCC3)n2)nc1
InChIInChI=1S/C24H21F3N6O/c25-24(26,27)18-5-6-21(29-14-18)31-22-13-20(17-4-3-16-2-1-7-28-19(16)12-17)30-23(32-22)15-33-8-10-34-11-9-33/h1-7,12-14H,8-11,15H2,(H,29,30,31,32)
InChIKeyMYCJXXBFOLYJFN-UHFFFAOYSA-N
MW466.47 g/mol
LogP4.68
Rot. Bonds5

About 2-(morpholin-4-ylmethyl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

2-(morpholin-4-ylmethyl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 11751668) has the molecular formula C24H21F3N6O and a molecular weight of 466.47 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID11751668
Molecular FormulaC24H21F3N6O
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name2-(morpholin-4-ylmethyl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2cc(-c3ccc4cccnc4c3)nc(CN3CCOCC3)n2)nc1
InChIInChI=1S/C24H21F3N6O/c25-24(26,27)18-5-6-21(29-14-18)31-22-13-20(17-4-3-16-2-1-7-28-19(16)12-17)30-23(32-22)15-33-8-10-34-11-9-33/h1-7,12-14H,8-11,15H2,(H,29,30,31,32)
InChIKeyMYCJXXBFOLYJFN-UHFFFAOYSA-N
XLogP4.68
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(morpholin-4-ylmethyl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine with MolForge

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Related Compounds

N-(2-quinolin-7-yl-4-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine
CID 11748887
4-quinolin-7-yl-6-[4-(trifluoromethyl)anilino]pyrimidine-2-carbonitrile
CID 11188481
6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine
CID 11280496
4-[2-[[6-quinolin-7-yl-1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]oxy]ethyl]morpholine
CID 141137730
benzenesulfonic acid;6-quinolin-7-yl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 11592395
N-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine
CID 78908037
benzenesulfonic acid;2-methylsulfanyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 11577772
N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine
CID 58285180
7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine
CID 46203537
4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563437
4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 11511257
4-[4-(1,6-naphthyridin-7-yl)phenyl]morpholine
CID 91552475

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 2-(morpholin-4-ylmethyl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 11751668) is 2-(morpholin-4-ylmethyl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is FC(F)(F)c1ccc(Nc2cc(-c3ccc4cccnc4c3)nc(CN3CCOCC3)n2)nc1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is MYCJXXBFOLYJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O/c25-24(26,27)18-5-6-21(29-14-18)31-22-13-20(17-4-3-16-2-1-7-28-19(16)12-17)30-23(32-22)15-33-8-10-34-11-9-33/h1-7,12-14H,8-11,15H2,(H,29,30,31,32).
What are the key properties of 2-(morpholin-4-ylmethyl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
2-(morpholin-4-ylmethyl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 466.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 11751668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).