4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one

C19H12F6N2O2 — CID 135545032

IUPAC4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)[nH]c(=O)c1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F6N2O2/c1-10-15(29-14-4-2-3-13(9-14)19(23,24)25)17(28)27-16(26-10)11-5-7-12(8-6-11)18(20,21)22/h2-9H,1H3,(H,26,27,28)
InChIKeyMQBCUWBGVAMRJH-UHFFFAOYSA-N
MW414.31 g/mol
LogP5.58
Rot. Bonds3

About 4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one

4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (PubChem CID 135545032) has the molecular formula C19H12F6N2O2 and a molecular weight of 414.31 g/mol. Its IUPAC name is 4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
PubChem CID135545032
Molecular FormulaC19H12F6N2O2
Molecular Weight414.31 g/mol
Exact Mass414.08
IUPAC Name4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)[nH]c(=O)c1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F6N2O2/c1-10-15(29-14-4-2-3-13(9-14)19(23,24)25)17(28)27-16(26-10)11-5-7-12(8-6-11)18(20,21)22/h2-9H,1H3,(H,26,27,28)
InChIKeyMQBCUWBGVAMRJH-UHFFFAOYSA-N
XLogP5.58
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.31
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 135966488
2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole
CID 68842284
8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135513721
2-methyl-5-(3-methylphenoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137254828
4,6-bis[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one
CID 4035854
5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103241247
4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 152556619
4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine
CID 18359733
methyl 5-hydroxy-6-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxylate
CID 135425165
5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 63613617
6-amino-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 137104076
5-methoxy-3-methyl-2-[3-(trifluoromethyl)phenoxy]benzoic acid
CID 67832312

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (CID 135545032) is 4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is Cc1nc(-c2ccc(C(F)(F)F)cc2)[nH]c(=O)c1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is MQBCUWBGVAMRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N2O2/c1-10-15(29-14-4-2-3-13(9-14)19(23,24)25)17(28)27-16(26-10)11-5-7-12(8-6-11)18(20,21)22/h2-9H,1H3,(H,26,27,28).
What are the key properties of 4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 414.31 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135545032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).