1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane

C15H24F4N4O2 — CID 178126452

IUPAC1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane
SMILESCC.CCc1ncnc(NCC(=O)N2CCC2)c1F.COC(F)(F)F
InChIInChI=1S/C11H15FN4O.C2H3F3O.C2H6/c1-2-8-10(12)11(15-7-14-8)13-6-9(17)16-4-3-5-16;1-6-2(3,4)5;1-2/h7H,2-6H2,1H3,(H,13,14,15);1H3;1-2H3
InChIKeyMLOZXCKHGSTXPT-UHFFFAOYSA-N
MW368.38 g/mol
LogP3.00
Rot. Bonds4

About 1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane

1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane (PubChem CID 178126452) has the molecular formula C15H24F4N4O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane
PubChem CID178126452
Molecular FormulaC15H24F4N4O2
Molecular Weight368.38 g/mol
Exact Mass368.18
IUPAC Name1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane
SMILESCC.CCc1ncnc(NCC(=O)N2CCC2)c1F.COC(F)(F)F
InChIInChI=1S/C11H15FN4O.C2H3F3O.C2H6/c1-2-8-10(12)11(15-7-14-8)13-6-9(17)16-4-3-5-16;1-6-2(3,4)5;1-2/h7H,2-6H2,1H3,(H,13,14,15);1H3;1-2H3
InChIKeyMLOZXCKHGSTXPT-UHFFFAOYSA-N
XLogP3.00
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane 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

2-[Ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
CID 100690449
4-(6-Ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one
CID 121020662
1-[1-(6-Ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-3-methylurea
CID 121537353
1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine
CID 136571599
1-(azetidin-1-yl)-2-[(6-propylpyrimidin-4-yl)amino]ethanone;(E)-1-fluoroprop-1-ene;trifluoromethanol
CID 178126507
(2R)-1-(azetidin-1-yl)-2-[(6-propylpyrimidin-4-yl)amino]propan-1-one;1-(difluoromethyl)-2-methylcyclopropane;trifluoromethanol
CID 178126589
1-(Azetidin-1-yl)-2-[[6-[3-(difluoromethyl)but-3-enyl]-5-fluoropyrimidin-4-yl]amino]ethanone;1,1-difluoroethanol;methanol
CID 178126630
1-(azetidin-1-yl)-2-[(5-fluoro-6-propylpyrimidin-4-yl)amino]ethanone;methanol;(E)-pent-2-ene;trifluoro(methoxy)methane
CID 178126730
(2R)-1-(azetidin-1-yl)-2-[(6-propylpyrimidin-4-yl)amino]propan-1-one;(E)-1,1-difluorobut-2-ene;trifluoromethanol
CID 178126765
1-(Azetidin-1-yl)-2-[(5-fluoro-6-propylpyrimidin-4-yl)amino]ethanone;ethane;3-fluoroprop-1-ene;trifluoromethanol
CID 178126787
(2R)-1-(azetidin-1-yl)-2-[(6-but-3-enylpyrimidin-4-yl)amino]propan-1-one;trifluoromethanol
CID 178126812
1-(Azetidin-1-yl)-2-[(5-fluoro-6-propylpyrimidin-4-yl)amino]ethanone;3-fluoroprop-1-ene;trifluoro(methoxy)methane
CID 178126980

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane?
The IUPAC name of 1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane (CID 178126452) is 1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane?
The canonical SMILES for 1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane is CC.CCc1ncnc(NCC(=O)N2CCC2)c1F.COC(F)(F)F.
What is the InChIKey of 1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane?
The InChIKey is MLOZXCKHGSTXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O.C2H3F3O.C2H6/c1-2-8-10(12)11(15-7-14-8)13-6-9(17)16-4-3-5-16;1-6-2(3,4)5;1-2/h7H,2-6H2,1H3,(H,13,14,15);1H3;1-2H3.
What are the key properties of 1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane?
1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane has a molecular weight of 368.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane is sourced from PubChem (CID 178126452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).