2,5-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboxamide

C14H20F3N5O2 — CID 122136045

IUPAC2,5-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)NCCNc2nccc(C(F)(F)F)n2)C(C)CO1
InChIInChI=1S/C14H20F3N5O2/c1-9-8-24-10(2)7-22(9)13(23)20-6-5-19-12-18-4-3-11(21-12)14(15,16)17/h3-4,9-10H,5-8H2,1-2H3,(H,20,23)(H,18,19,21)
InChIKeyICZPJOPCPKMETD-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.73
Rot. Bonds4

About 2,5-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboxamide

2,5-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboxamide (PubChem CID 122136045) has the molecular formula C14H20F3N5O2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboxamide
PubChem CID122136045
Molecular FormulaC14H20F3N5O2
Molecular Weight347.34 g/mol
Exact Mass347.16
IUPAC Name2,5-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)NCCNc2nccc(C(F)(F)F)n2)C(C)CO1
InChIInChI=1S/C14H20F3N5O2/c1-9-8-24-10(2)7-22(9)13(23)20-6-5-19-12-18-4-3-11(21-12)14(15,16)17/h3-4,9-10H,5-8H2,1-2H3,(H,20,23)(H,18,19,21)
InChIKeyICZPJOPCPKMETD-UHFFFAOYSA-N
XLogP1.73
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Piperidin-4-yloxy)-4-(trifluoromethyl)pyrimidine
CID 23133612
3-[(3R)-4,4-difluorooxolan-3-yl]-1-methyl-1-[(1S)-1-pyrimidin-4-ylethyl]urea
CID 176231200
N-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide
CID 2796053
1-Cyclohexyl-3-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]urea
CID 2810981
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
1-(2-Methoxyethyl)-3-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)urea
CID 91631409
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-((4-methylpyrimidin-2-yl)oxy)-N-(2-morpholinoethyl)acetamide
CID 52417047
N-(2-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino}ethyl)-2-[(4-methylpyrimidin-2-yl)oxy]acetamide
CID 52417085

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboxamide (CID 122136045) is 2,5-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboxamide is CC1CN(C(=O)NCCNc2nccc(C(F)(F)F)n2)C(C)CO1.
What is the InChIKey of 2,5-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboxamide?
The InChIKey is ICZPJOPCPKMETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O2/c1-9-8-24-10(2)7-22(9)13(23)20-6-5-19-12-18-4-3-11(21-12)14(15,16)17/h3-4,9-10H,5-8H2,1-2H3,(H,20,23)(H,18,19,21).
What are the key properties of 2,5-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboxamide?
2,5-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 122136045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).