1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione

C17H19F3N2O3 — CID 24776873

IUPAC1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
SMILESCCOCn1c(Cc2cccc(C(F)(F)F)c2)c(CC)c(=O)[nH]c1=O
InChIInChI=1S/C17H19F3N2O3/c1-3-13-14(22(10-25-4-2)16(24)21-15(13)23)9-11-6-5-7-12(8-11)17(18,19)20/h5-8H,3-4,9-10H2,1-2H3,(H,21,23,24)
InChIKeyVVYPQWOWNYCYPL-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.70
Rot. Bonds6

About 1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione

1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 24776873) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
PubChem CID24776873
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
SMILESCCOCn1c(Cc2cccc(C(F)(F)F)c2)c(CC)c(=O)[nH]c1=O
InChIInChI=1S/C17H19F3N2O3/c1-3-13-14(22(10-25-4-2)16(24)21-15(13)23)9-11-6-5-7-12(8-11)17(18,19)20/h5-8H,3-4,9-10H2,1-2H3,(H,21,23,24)
InChIKeyVVYPQWOWNYCYPL-UHFFFAOYSA-N
XLogP2.70
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 24776874
6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 24776986
6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 83950321
5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyrazol-3-one
CID 141273226
6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione
CID 5279588
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731
1-(2-oxopropyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 175383711
6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione
CID 142656446
5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one
CID 10967713
3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione
CID 146334414
3-methyl-6-morpholin-4-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 3471119
2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile
CID 129080140

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione (CID 24776873) is 1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione is CCOCn1c(Cc2cccc(C(F)(F)F)c2)c(CC)c(=O)[nH]c1=O.
What is the InChIKey of 1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is VVYPQWOWNYCYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c1-3-13-14(22(10-25-4-2)16(24)21-15(13)23)9-11-6-5-7-12(8-11)17(18,19)20/h5-8H,3-4,9-10H2,1-2H3,(H,21,23,24).
What are the key properties of 1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 356.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 24776873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).