3-[2,5-dimethyl-4-(trifluoromethyl)phenyl]-1,5,6-trimethylpyrimidine-2,4-dione

C16H17F3N2O2 — CID 54169094

IUPAC3-[2,5-dimethyl-4-(trifluoromethyl)phenyl]-1,5,6-trimethylpyrimidine-2,4-dione
SMILESCc1cc(C(F)(F)F)c(C)cc1-n1c(=O)c(C)c(C)n(C)c1=O
InChIInChI=1S/C16H17F3N2O2/c1-8-7-13(9(2)6-12(8)16(17,18)19)21-14(22)10(3)11(4)20(5)15(21)23/h6-7H,1-5H3
InChIKeyOTTGCMUWYFSVCQ-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.79
Rot. Bonds1

About 3-[2,5-dimethyl-4-(trifluoromethyl)phenyl]-1,5,6-trimethylpyrimidine-2,4-dione

3-[2,5-dimethyl-4-(trifluoromethyl)phenyl]-1,5,6-trimethylpyrimidine-2,4-dione (PubChem CID 54169094) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 3-[2,5-dimethyl-4-(trifluoromethyl)phenyl]-1,5,6-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2,5-dimethyl-4-(trifluoromethyl)phenyl]-1,5,6-trimethylpyrimidine-2,4-dione
PubChem CID54169094
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name3-[2,5-dimethyl-4-(trifluoromethyl)phenyl]-1,5,6-trimethylpyrimidine-2,4-dione
SMILESCc1cc(C(F)(F)F)c(C)cc1-n1c(=O)c(C)c(C)n(C)c1=O
InChIInChI=1S/C16H17F3N2O2/c1-8-7-13(9(2)6-12(8)16(17,18)19)21-14(22)10(3)11(4)20(5)15(21)23/h6-7H,1-5H3
InChIKeyOTTGCMUWYFSVCQ-UHFFFAOYSA-N
XLogP2.79
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Allyl-6-(3-ethyl-4-methyl-phenylamino)-1H-pyrimidine-2,4-dione
CID 10660798
1-(4-isopropyl-2,5-dimethylphenyl)-6-methyldihydro-2,4(1H,3H)-pyrimidinedione
CID 15945659
3-[2-(3,5-Difluorophenyl)-4,5-dimethylphenyl]-1,1-dimethylurea
CID 135019931
(5S)-1-(2,5-dimethyl-4-propan-2-ylphenyl)-5-methyl-1,3-diazinane-2,4-dione
CID 1235215
2,4,5-Trimethylaniline, N,N-di(trifluoroacetyl)-
CID 91742697
N-[2,4-bis(trifluoromethyl)phenyl]-N-[1-ethyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]acetamide
CID 20577135
3-[2,4-dimethyl-5-[(E)-2-methyl-3-oxobut-1-enyl]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 20719079
3-[2,4-dimethyl-5-(2-methyl-3-oxobutyl)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 20719080
3-(5-acetyl-2,4-dimethylphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 20719083
6-(trifluoromethyl)-3-(2,4,5-trimethylphenyl)-1H-pyrimidine-2,4-dione
CID 20719087
5-Fluoro-2-methyl-4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzonitrile
CID 22251784
2-Methyl-4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzenecarbothioamide
CID 23386010

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dimethyl-4-(trifluoromethyl)phenyl]-1,5,6-trimethylpyrimidine-2,4-dione?
The IUPAC name of 3-[2,5-dimethyl-4-(trifluoromethyl)phenyl]-1,5,6-trimethylpyrimidine-2,4-dione (CID 54169094) is 3-[2,5-dimethyl-4-(trifluoromethyl)phenyl]-1,5,6-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[2,5-dimethyl-4-(trifluoromethyl)phenyl]-1,5,6-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 3-[2,5-dimethyl-4-(trifluoromethyl)phenyl]-1,5,6-trimethylpyrimidine-2,4-dione is Cc1cc(C(F)(F)F)c(C)cc1-n1c(=O)c(C)c(C)n(C)c1=O.
What is the InChIKey of 3-[2,5-dimethyl-4-(trifluoromethyl)phenyl]-1,5,6-trimethylpyrimidine-2,4-dione?
The InChIKey is OTTGCMUWYFSVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-8-7-13(9(2)6-12(8)16(17,18)19)21-14(22)10(3)11(4)20(5)15(21)23/h6-7H,1-5H3.
What are the key properties of 3-[2,5-dimethyl-4-(trifluoromethyl)phenyl]-1,5,6-trimethylpyrimidine-2,4-dione?
3-[2,5-dimethyl-4-(trifluoromethyl)phenyl]-1,5,6-trimethylpyrimidine-2,4-dione has a molecular weight of 326.32 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dimethyl-4-(trifluoromethyl)phenyl]-1,5,6-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 54169094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).