3-methyl-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-1H-pyrimidine-2,4-dione

C14H14F3N3O3 — CID 146142608

IUPAC3-methyl-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-1H-pyrimidine-2,4-dione
SMILESCN(Cc1ccccc1OC(F)(F)F)c1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C14H14F3N3O3/c1-19(11-7-12(21)20(2)13(22)18-11)8-9-5-3-4-6-10(9)23-14(15,16)17/h3-7H,8H2,1-2H3,(H,18,22)
InChIKeyUISSHYKRXPBRDS-UHFFFAOYSA-N
MW329.28 g/mol
LogP1.61
Rot. Bonds4

About 3-methyl-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-1H-pyrimidine-2,4-dione

3-methyl-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-1H-pyrimidine-2,4-dione (PubChem CID 146142608) has the molecular formula C14H14F3N3O3 and a molecular weight of 329.28 g/mol. Its IUPAC name is 3-methyl-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-1H-pyrimidine-2,4-dione
PubChem CID146142608
Molecular FormulaC14H14F3N3O3
Molecular Weight329.28 g/mol
Exact Mass329.10
IUPAC Name3-methyl-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-1H-pyrimidine-2,4-dione
SMILESCN(Cc1ccccc1OC(F)(F)F)c1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C14H14F3N3O3/c1-19(11-7-12(21)20(2)13(22)18-11)8-9-5-3-4-6-10(9)23-14(15,16)17/h3-7H,8H2,1-2H3,(H,18,22)
InChIKeyUISSHYKRXPBRDS-UHFFFAOYSA-N
XLogP1.61
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-1-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrimidine-2,4-dione
CID 167761182
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
N,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 38259393
3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide
CID 56578932
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
N,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide
CID 166226587
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione
CID 24665174
2-ethyl-7-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 24665116
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide
CID 52561453
3-methyl-6-[methyl-(2,2,2-trifluoroethylideneamino)amino]-1H-pyrimidine-2,4-dione
CID 90747505
3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119278533

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-1H-pyrimidine-2,4-dione (CID 146142608) is 3-methyl-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-1H-pyrimidine-2,4-dione is CN(Cc1ccccc1OC(F)(F)F)c1cc(=O)n(C)c(=O)[nH]1.
What is the InChIKey of 3-methyl-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-1H-pyrimidine-2,4-dione?
The InChIKey is UISSHYKRXPBRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3/c1-19(11-7-12(21)20(2)13(22)18-11)8-9-5-3-4-6-10(9)23-14(15,16)17/h3-7H,8H2,1-2H3,(H,18,22).
What are the key properties of 3-methyl-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-1H-pyrimidine-2,4-dione?
3-methyl-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-1H-pyrimidine-2,4-dione has a molecular weight of 329.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146142608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).