1-morpholin-4-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one

C12H15F3N4O2 — CID 115599449

IUPAC1-morpholin-4-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one
SMILESCC(Nc1nccc(C(F)(F)F)n1)C(=O)N1CCOCC1
InChIInChI=1S/C12H15F3N4O2/c1-8(10(20)19-4-6-21-7-5-19)17-11-16-3-2-9(18-11)12(13,14)15/h2-3,8H,4-7H2,1H3,(H,16,17,18)
InChIKeyDVRNCOJAAWUONP-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.15
Rot. Bonds3

About 1-morpholin-4-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one

1-morpholin-4-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one (PubChem CID 115599449) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one
PubChem CID115599449
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name1-morpholin-4-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one
SMILESCC(Nc1nccc(C(F)(F)F)n1)C(=O)N1CCOCC1
InChIInChI=1S/C12H15F3N4O2/c1-8(10(20)19-4-6-21-7-5-19)17-11-16-3-2-9(18-11)12(13,14)15/h2-3,8H,4-7H2,1H3,(H,16,17,18)
InChIKeyDVRNCOJAAWUONP-UHFFFAOYSA-N
XLogP1.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-morpholin-4-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one 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

N-[(4-ethylmorpholin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 53592753
3-ethoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide
CID 72006787
3-Ethyl-4-(4-methylpyrimidin-2-yl)piperazin-2-one
CID 75379310
2-(2-oxooxazolidin-3-yl)-N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)acetamide
CID 91631395
1-(2-Methoxyethyl)-3-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)urea
CID 91631409
2-(Methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110269942
2-(2-Piperazin-1-ylethoxy)-4-(trifluoromethyl)pyrimidine
CID 172434778
2-[(1,4-Dimethylpiperazin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine
CID 172437603
N-(1-(4-(trifluoromethyl)pyrimidin-2-yl)piperidin-4-yl)acetamide
CID 49431027
2-(methylamino)-N-((2-methylpyrimidin-4-yl)methyl)propanamide; trifluoroacetic acid
CID 165896858
N-(2-methoxyethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3634989
2-((4-methylpyrimidin-2-yl)oxy)-N-(2-morpholinoethyl)acetamide
CID 52417047

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one (CID 115599449) is 1-morpholin-4-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one is CC(Nc1nccc(C(F)(F)F)n1)C(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one?
The InChIKey is DVRNCOJAAWUONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-8(10(20)19-4-6-21-7-5-19)17-11-16-3-2-9(18-11)12(13,14)15/h2-3,8H,4-7H2,1H3,(H,16,17,18).
What are the key properties of 1-morpholin-4-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one?
1-morpholin-4-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one has a molecular weight of 304.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one is sourced from PubChem (CID 115599449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).