1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]propan-1-one

C13H18F3N5O2 — CID 141126379

IUPAC1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]propan-1-one
SMILESCCC(=O)N1CCOC(CNc2nc(N)ncc2C(F)(F)F)C1
InChIInChI=1S/C13H18F3N5O2/c1-2-10(22)21-3-4-23-8(7-21)5-18-11-9(13(14,15)16)6-19-12(17)20-11/h6,8H,2-5,7H2,1H3,(H3,17,18,19,20)
InChIKeyLCBRMWHXCKWAPN-UHFFFAOYSA-N
MW333.31 g/mol
LogP1.13
Rot. Bonds4

About 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]propan-1-one

1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]propan-1-one (PubChem CID 141126379) has the molecular formula C13H18F3N5O2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]propan-1-one
PubChem CID141126379
Molecular FormulaC13H18F3N5O2
Molecular Weight333.31 g/mol
Exact Mass333.14
IUPAC Name1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]propan-1-one
SMILESCCC(=O)N1CCOC(CNc2nc(N)ncc2C(F)(F)F)C1
InChIInChI=1S/C13H18F3N5O2/c1-2-10(22)21-3-4-23-8(7-21)5-18-11-9(13(14,15)16)6-19-12(17)20-11/h6,8H,2-5,7H2,1H3,(H3,17,18,19,20)
InChIKeyLCBRMWHXCKWAPN-UHFFFAOYSA-N
XLogP1.13
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]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

5-fluoro-N-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 3121396
2,4-bis(butylamino)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide
CID 72548581
1-(4-((5-Fluoro-4-morpholinopyrimidin-2-yl)amino)piperidin-1-yl)ethan-1-one
CID 172591486
trans-N-(4-((5-fluoro-4-morpholinopyrimidin-2-yl)amino)cyclohexyl)acetamide
CID 172592025
1-{3-[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl}pyrrolidin-2-one
CID 50950817
4-{3-[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl}piperazin-2-one
CID 50963232
N-{2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl}acetamide
CID 50976549
1-(4-Methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone
CID 56799664
5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
CID 56866727
1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 95328398
N-[[(2S)-4-(2-tert-butylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide
CID 97787169
(2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide
CID 99929770

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]propan-1-one (CID 141126379) is 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]propan-1-one is CCC(=O)N1CCOC(CNc2nc(N)ncc2C(F)(F)F)C1.
What is the InChIKey of 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]propan-1-one?
The InChIKey is LCBRMWHXCKWAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5O2/c1-2-10(22)21-3-4-23-8(7-21)5-18-11-9(13(14,15)16)6-19-12(17)20-11/h6,8H,2-5,7H2,1H3,(H3,17,18,19,20).
What are the key properties of 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]propan-1-one?
1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]propan-1-one has a molecular weight of 333.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 141126379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).