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

C18H21F3N2O3 — CID 24776874

IUPAC1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
SMILESCCOCn1c(Cc2cccc(C(F)(F)F)c2)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H21F3N2O3/c1-4-26-10-23-14(15(11(2)3)16(24)22-17(23)25)9-12-6-5-7-13(8-12)18(19,20)21/h5-8,11H,4,9-10H2,1-3H3,(H,22,24,25)
InChIKeyGMSHRLXGWRQKAN-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.26
Rot. Bonds6

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

1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 24776874) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
PubChem CID24776874
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Name1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
SMILESCCOCn1c(Cc2cccc(C(F)(F)F)c2)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H21F3N2O3/c1-4-26-10-23-14(15(11(2)3)16(24)22-17(23)25)9-12-6-5-7-13(8-12)18(19,20)21/h5-8,11H,4,9-10H2,1-3H3,(H,22,24,25)
InChIKeyGMSHRLXGWRQKAN-UHFFFAOYSA-N
XLogP3.26
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 24776986
1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 24776873
1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 509571
6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 25213476
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731
5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyrazol-3-one
CID 141273226
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4791309
6-benzyl-1-[4-(4-fluorophenyl)butyl]-5-propan-2-ylpyrimidine-2,4-dione
CID 52937849
6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 83950321
6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 54541334
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

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione (CID 24776874) is 1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione is CCOCn1c(Cc2cccc(C(F)(F)F)c2)c(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is GMSHRLXGWRQKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c1-4-26-10-23-14(15(11(2)3)16(24)22-17(23)25)9-12-6-5-7-13(8-12)18(19,20)21/h5-8,11H,4,9-10H2,1-3H3,(H,22,24,25).
What are the key properties of 1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 370.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 24776874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).