1-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]propan-2-one

C18H20F3N5O2 — CID 58119264

IUPAC1-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]propan-2-one
SMILESNc1nc(NCC(=O)Cc2cccc(C(F)(F)F)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C18H20F3N5O2/c19-18(20,21)13-3-1-2-12(8-13)9-14(27)11-23-15-10-16(25-17(22)24-15)26-4-6-28-7-5-26/h1-3,8,10H,4-7,9,11H2,(H3,22,23,24,25)
InChIKeySZSLIFJZJTYNRS-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.14
Rot. Bonds6

About 1-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]propan-2-one

1-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 58119264) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 1-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]propan-2-one
PubChem CID58119264
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name1-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]propan-2-one
SMILESNc1nc(NCC(=O)Cc2cccc(C(F)(F)F)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C18H20F3N5O2/c19-18(20,21)13-3-1-2-12(8-13)9-14(27)11-23-15-10-16(25-17(22)24-15)26-4-6-28-7-5-26/h1-3,8,10H,4-7,9,11H2,(H3,22,23,24,25)
InChIKeySZSLIFJZJTYNRS-UHFFFAOYSA-N
XLogP2.14
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]propan-2-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

2-cyclopropyl-N-[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]acetamide
CID 162660644
5-[3-(2-Morpholin-4-ylpyrimidin-5-yl)phenyl]-3-oxopentanimidamide
CID 134819758
1-[6-(Morpholin-4-YL)pyrimidin-4-YL]-N-{[3-(trifluoromethyl)phenyl]methyl}piperidine-4-carboxamide
CID 53170543
N-(2-((2-methyl-6-morpholinopyrimidin-4-yl)amino)ethyl)-2,2-diphenylacetamide
CID 45502689
N-(6-morpholinopyrimidin-4-yl)-3,3-diphenylpropanamide
CID 71794831
N-(6-morpholino-4-pyrimidinyl)(R)-2-phenylbutyramide
CID 95985885
2,4-difluoro-N-(2-((2-methyl-6-morpholinopyrimidin-4-yl)amino)ethyl)benzamide
CID 45502690
N-(2-((2-methyl-6-morpholinopyrimidin-4-yl)amino)ethyl)-3-(trifluoromethyl)benzamide
CID 45502714
6-morpholin-4-yl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 117083094
6-(4-morpholin-4-ylpiperidin-1-yl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 117084842
2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 117085441
6-(4-morpholin-4-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 117085892

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]propan-2-one (CID 58119264) is 1-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]propan-2-one is Nc1nc(NCC(=O)Cc2cccc(C(F)(F)F)c2)cc(N2CCOCC2)n1.
What is the InChIKey of 1-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is SZSLIFJZJTYNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c19-18(20,21)13-3-1-2-12(8-13)9-14(27)11-23-15-10-16(25-17(22)24-15)26-4-6-28-7-5-26/h1-3,8,10H,4-7,9,11H2,(H3,22,23,24,25).
What are the key properties of 1-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]propan-2-one?
1-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 395.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 58119264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).