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

C19H22F3N3O3 — CID 3339962

IUPAC6-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
SMILESCC1CN(c2[nH]c(=O)n(C)c(=O)c2Cc2cccc(C(F)(F)F)c2)CC(C)O1
InChIInChI=1S/C19H22F3N3O3/c1-11-9-25(10-12(2)28-11)16-15(17(26)24(3)18(27)23-16)8-13-5-4-6-14(7-13)19(20,21)22/h4-7,11-12H,8-10H2,1-3H3,(H,23,27)
InChIKeyMTIVMLUMRCNYJQ-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.30
Rot. Bonds3

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

6-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 3339962) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID3339962
Molecular FormulaC19H22F3N3O3
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC Name6-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
SMILESCC1CN(c2[nH]c(=O)n(C)c(=O)c2Cc2cccc(C(F)(F)F)c2)CC(C)O1
InChIInChI=1S/C19H22F3N3O3/c1-11-9-25(10-12(2)28-11)16-15(17(26)24(3)18(27)23-16)8-13-5-4-6-14(7-13)19(20,21)22/h4-7,11-12H,8-10H2,1-3H3,(H,23,27)
InChIKeyMTIVMLUMRCNYJQ-UHFFFAOYSA-N
XLogP2.30
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione (CID 3339962) is 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione is CC1CN(c2[nH]c(=O)n(C)c(=O)c2Cc2cccc(C(F)(F)F)c2)CC(C)O1.
What is the InChIKey of 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is MTIVMLUMRCNYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3/c1-11-9-25(10-12(2)28-11)16-15(17(26)24(3)18(27)23-16)8-13-5-4-6-14(7-13)19(20,21)22/h4-7,11-12H,8-10H2,1-3H3,(H,23,27).
What are the key properties of 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
6-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 397.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3339962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).