(2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone

C24H25FN4O3 — CID 56574306

IUPAC(2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone
SMILESCC1CN(C(=O)c2ccc(CNc3nccc(Oc4ccc(F)cc4)n3)cc2)CC(C)O1
InChIInChI=1S/C24H25FN4O3/c1-16-14-29(15-17(2)31-16)23(30)19-5-3-18(4-6-19)13-27-24-26-12-11-22(28-24)32-21-9-7-20(25)8-10-21/h3-12,16-17H,13-15H2,1-2H3,(H,26,27,28)
InChIKeyVZLGFBMGWDTKKY-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.27
Rot. Bonds6

About (2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone

(2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone (PubChem CID 56574306) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone
PubChem CID56574306
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone
SMILESCC1CN(C(=O)c2ccc(CNc3nccc(Oc4ccc(F)cc4)n3)cc2)CC(C)O1
InChIInChI=1S/C24H25FN4O3/c1-16-14-29(15-17(2)31-16)23(30)19-5-3-18(4-6-19)13-27-24-26-12-11-22(28-24)32-21-9-7-20(25)8-10-21/h3-12,16-17H,13-15H2,1-2H3,(H,26,27,28)
InChIKeyVZLGFBMGWDTKKY-UHFFFAOYSA-N
XLogP4.27
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone with MolForge

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Related Compounds

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanone
CID 124730185
4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine
CID 56575792
(4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 56575190
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122033835
4-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]piperazin-2-one
CID 56575228
(2,6-dimethylmorpholin-4-yl)-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanone
CID 133298921
(2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide
CID 94030864
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 133411339
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111229696
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055437
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133442800

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone (CID 56574306) is (2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone is CC1CN(C(=O)c2ccc(CNc3nccc(Oc4ccc(F)cc4)n3)cc2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone?
The InChIKey is VZLGFBMGWDTKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-16-14-29(15-17(2)31-16)23(30)19-5-3-18(4-6-19)13-27-24-26-12-11-22(28-24)32-21-9-7-20(25)8-10-21/h3-12,16-17H,13-15H2,1-2H3,(H,26,27,28).
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone?
(2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone has a molecular weight of 436.49 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone is sourced from PubChem (CID 56574306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).