2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one

C14H18F3N3O3 — CID 136883853

IUPAC2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
SMILESCCc1nc(C)c(CC(=O)N2CCO[C@@H](C(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C14H18F3N3O3/c1-3-11-18-8(2)9(13(22)19-11)6-12(21)20-4-5-23-10(7-20)14(15,16)17/h10H,3-7H2,1-2H3,(H,18,19,22)/t10-/m1/s1
InChIKeyJLUPCEIJJQEOKC-SNVBAGLBSA-N
MW333.31 g/mol
LogP0.97
Rot. Bonds3

About 2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one

2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 136883853) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID136883853
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC Name2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
SMILESCCc1nc(C)c(CC(=O)N2CCO[C@@H](C(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C14H18F3N3O3/c1-3-11-18-8(2)9(13(22)19-11)6-12(21)20-4-5-23-10(7-20)14(15,16)17/h10H,3-7H2,1-2H3,(H,18,19,22)/t10-/m1/s1
InChIKeyJLUPCEIJJQEOKC-SNVBAGLBSA-N
XLogP0.97
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-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

2,6-dimethyl-5-{2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl}pyrimidin-4(3H)-one
CID 136147249
5-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 137295740
2-methyl-5-{2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl}pyrimidin-4(3H)-one
CID 56862439
2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one
CID 136849634
2-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 74223793
2-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 95402827
2-ethyl-6-methyl-5-{2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl}pyrimidin-4(3H)-one
CID 136015656
2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 136858381
2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 136858382
2-ethyl-4-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 136883852
2-ethyl-6-methyl-5-{2-oxo-2-[4-(trifluoromethoxy)-1-piperidinyl]ethyl}-4(3H)-pyrimidinone
CID 163307660
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 135896979

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one (CID 136883853) is 2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one is CCc1nc(C)c(CC(=O)N2CCO[C@@H](C(F)(F)F)C2)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is JLUPCEIJJQEOKC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-3-11-18-8(2)9(13(22)19-11)6-12(21)20-4-5-23-10(7-20)14(15,16)17/h10H,3-7H2,1-2H3,(H,18,19,22)/t10-/m1/s1.
What are the key properties of 2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one?
2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 333.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136883853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).