2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide

C18H19F3N4O3 — CID 137162871

IUPAC2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N4O3/c1-11(12-2-4-13(5-3-12)18(19,20)21)22-16(27)14-10-15(26)24-17(23-14)25-6-8-28-9-7-25/h2-5,10-11H,6-9H2,1H3,(H,22,27)(H,23,24,26)/t11-/m1/s1
InChIKeyUURJKUATRMKENC-LLVKDONJSA-N
MW396.37 g/mol
LogP2.12
Rot. Bonds4

About 2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide

2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide (PubChem CID 137162871) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
PubChem CID137162871
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N4O3/c1-11(12-2-4-13(5-3-12)18(19,20)21)22-16(27)14-10-15(26)24-17(23-14)25-6-8-28-9-7-25/h2-5,10-11H,6-9H2,1H3,(H,22,27)(H,23,24,26)/t11-/m1/s1
InChIKeyUURJKUATRMKENC-LLVKDONJSA-N
XLogP2.12
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-2-piperidin-1-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 137302142
2-(3,3-difluoropyrrolidin-1-yl)-6-oxo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 137146220
2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136982923
2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 137162799
2-methyl-6-oxo-N-[(1R)-1-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 140765789
N-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137302120
6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136950368
2-(3,3-difluoroazetidin-1-yl)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]-1H-pyrimidin-6-one
CID 148625752
2-(3,3-difluoropyrrolidin-1-yl)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]-1H-pyrimidin-6-one
CID 158099135
N-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide
CID 133149986
N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methylpyrazole-3-carboxamide
CID 136764050
N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 136764028

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide (CID 137162871) is 2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide is C[C@@H](NC(=O)c1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is UURJKUATRMKENC-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-11(12-2-4-13(5-3-12)18(19,20)21)22-16(27)14-10-15(26)24-17(23-14)25-6-8-28-9-7-25/h2-5,10-11H,6-9H2,1H3,(H,22,27)(H,23,24,26)/t11-/m1/s1.
What are the key properties of 2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137162871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).