3-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione

C12H14F3N3O4 — CID 95557299

IUPAC3-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCO[C@H](C(F)(F)F)C2)c1=O
InChIInChI=1S/C12H14F3N3O4/c1-17-10(20)7(5-16-11(17)21)4-9(19)18-2-3-22-8(6-18)12(13,14)15/h5,8H,2-4,6H2,1H3,(H,16,21)/t8-/m0/s1
InChIKeyQESIZIBRYAHLBR-QMMMGPOBSA-N
MW321.26 g/mol
LogP-0.59
Rot. Bonds2

About 3-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 95557299) has the molecular formula C12H14F3N3O4 and a molecular weight of 321.26 g/mol. Its IUPAC name is 3-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID95557299
Molecular FormulaC12H14F3N3O4
Molecular Weight321.26 g/mol
Exact Mass321.09
IUPAC Name3-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCO[C@H](C(F)(F)F)C2)c1=O
InChIInChI=1S/C12H14F3N3O4/c1-17-10(20)7(5-16-11(17)21)4-9(19)18-2-3-22-8(6-18)12(13,14)15/h5,8H,2-4,6H2,1H3,(H,16,21)/t8-/m0/s1
InChIKeyQESIZIBRYAHLBR-QMMMGPOBSA-N
XLogP-0.59
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-{2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl}pyrimidine-2,4(1H,3H)-dione
CID 56877860
5-Ethyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione
CID 66328173
5-Ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 66330917
5-acetyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-2,4-dione
CID 80643429
3-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 95557300
5-acetyl-3-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidine-2,4-dione
CID 105910369
2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide
CID 138011902
3-methyl-5-{2-oxo-2-[4-(trifluoromethoxy)-1-piperidinyl]ethyl}-2,4(1H,3H)-pyrimidinedione
CID 163315541
5-Ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
CID 66328172
5-Ethyl-1-(morpholin-2-ylmethyl)pyrimidine-2,4-dione
CID 66329715
5-{2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl}pyrimidine-2,4(1H,3H)-dione
CID 70778511
5-Ethyl-1-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
CID 79182839

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione (CID 95557299) is 3-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(CC(=O)N2CCO[C@H](C(F)(F)F)C2)c1=O.
What is the InChIKey of 3-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is QESIZIBRYAHLBR-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14F3N3O4/c1-17-10(20)7(5-16-11(17)21)4-9(19)18-2-3-22-8(6-18)12(13,14)15/h5,8H,2-4,6H2,1H3,(H,16,21)/t8-/m0/s1.
What are the key properties of 3-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 321.26 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 95557299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).