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

C13H11F3N2O2 — CID 83950321

IUPAC6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O2/c1-7-10(11(19)18-12(20)17-7)6-8-3-2-4-9(5-8)13(14,15)16/h2-5H,6H2,1H3,(H2,17,18,19,20)
InChIKeyYWWVGQZWRYXROW-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.98
Rot. Bonds2

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

6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 83950321) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID83950321
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O2/c1-7-10(11(19)18-12(20)17-7)6-8-3-2-4-9(5-8)13(14,15)16/h2-5H,6H2,1H3,(H2,17,18,19,20)
InChIKeyYWWVGQZWRYXROW-UHFFFAOYSA-N
XLogP1.98
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyrazol-3-one
CID 141273226
5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 83952471
2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile
CID 129080140
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 110526114
6-methyl-5-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione
CID 83956057
5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 83952351
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]acetamide
CID 137078821
5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 131943491
1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 24776873
5-methyl-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one
CID 46834058

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione (CID 83950321) is 6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is YWWVGQZWRYXROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-7-10(11(19)18-12(20)17-7)6-8-3-2-4-9(5-8)13(14,15)16/h2-5H,6H2,1H3,(H2,17,18,19,20).
What are the key properties of 6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 284.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83950321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).