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

C17H18F3N3O3 — CID 3471119

IUPAC3-methyl-6-morpholin-4-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N2CCOCC2)c(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C17H18F3N3O3/c1-22-15(24)13(10-11-3-2-4-12(9-11)17(18,19)20)14(21-16(22)25)23-5-7-26-8-6-23/h2-4,9H,5-8,10H2,1H3,(H,21,25)
InChIKeyROOFAAVADYTPKA-UHFFFAOYSA-N
MW369.34 g/mol
LogP1.52
Rot. Bonds3

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

3-methyl-6-morpholin-4-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 3471119) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 3-methyl-6-morpholin-4-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-morpholin-4-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID3471119
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name3-methyl-6-morpholin-4-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N2CCOCC2)c(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C17H18F3N3O3/c1-22-15(24)13(10-11-3-2-4-12(9-11)17(18,19)20)14(21-16(22)25)23-5-7-26-8-6-23/h2-4,9H,5-8,10H2,1H3,(H,21,25)
InChIKeyROOFAAVADYTPKA-UHFFFAOYSA-N
XLogP1.52
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-(1,4-dioxan-2-yl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 175383767
5-[(3-chloro-4-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2,3-difluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 159973012
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731
1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 24776873
2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136764145
5-benzyl-3,6-dimethyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-one
CID 7419428
5-[[3-(1,1-difluoroethyl)phenyl]methylamino]-7-methyl-3-morpholin-4-yl-1H-pyrido[2,3-d]pyridazine-2,8-dione
CID 169254500
1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 24776874
1-(2-oxopropyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 175383711
3-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 75414112

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-morpholin-4-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-morpholin-4-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione (CID 3471119) is 3-methyl-6-morpholin-4-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-morpholin-4-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-morpholin-4-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]c(N2CCOCC2)c(Cc2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 3-methyl-6-morpholin-4-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is ROOFAAVADYTPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-22-15(24)13(10-11-3-2-4-12(9-11)17(18,19)20)14(21-16(22)25)23-5-7-26-8-6-23/h2-4,9H,5-8,10H2,1H3,(H,21,25).
What are the key properties of 3-methyl-6-morpholin-4-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
3-methyl-6-morpholin-4-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 369.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-morpholin-4-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3471119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).