N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C18H19F3N4O2 — CID 122318873

IUPACN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)14-3-1-2-13(10-14)11-17(26)23-12-15-22-5-4-16(24-15)25-6-8-27-9-7-25/h1-5,10H,6-9,11-12H2,(H,23,26)
InChIKeyDXVHPSOGQDPXQO-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.19
Rot. Bonds5

About N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 122318873) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID122318873
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)14-3-1-2-13(10-14)11-17(26)23-12-15-22-5-4-16(24-15)25-6-8-27-9-7-25/h1-5,10H,6-9,11-12H2,(H,23,26)
InChIKeyDXVHPSOGQDPXQO-UHFFFAOYSA-N
XLogP2.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122295248
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087
4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966739
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 122318781
N-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 67035538
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 32584893
7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122318745
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide
CID 121137168
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122318833
3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122318892

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 122318873) is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)NCc1nccc(N2CCOCC2)n1.
What is the InChIKey of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DXVHPSOGQDPXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)14-3-1-2-13(10-14)11-17(26)23-12-15-22-5-4-16(24-15)25-6-8-27-9-7-25/h1-5,10H,6-9,11-12H2,(H,23,26).
What are the key properties of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 380.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 122318873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).