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

C12H9F3N2O2 — CID 130182854

IUPAC1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
SMILESCn1c(-c2ccc(C(F)(F)F)cc2)cc(=O)[nH]c1=O
InChIInChI=1S/C12H9F3N2O2/c1-17-9(6-10(18)16-11(17)19)7-2-4-8(5-3-7)12(13,14)15/h2-6H,1H3,(H,16,18,19)
InChIKeyLOJYMJNECWLJDQ-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.76
Rot. Bonds1

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

1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione (PubChem CID 130182854) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
PubChem CID130182854
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
SMILESCn1c(-c2ccc(C(F)(F)F)cc2)cc(=O)[nH]c1=O
InChIInChI=1S/C12H9F3N2O2/c1-17-9(6-10(18)16-11(17)19)7-2-4-8(5-3-7)12(13,14)15/h2-6H,1H3,(H,16,18,19)
InChIKeyLOJYMJNECWLJDQ-UHFFFAOYSA-N
XLogP1.76
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione (CID 130182854) is 1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione is Cn1c(-c2ccc(C(F)(F)F)cc2)cc(=O)[nH]c1=O.
What is the InChIKey of 1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The InChIKey is LOJYMJNECWLJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-17-9(6-10(18)16-11(17)19)7-2-4-8(5-3-7)12(13,14)15/h2-6H,1H3,(H,16,18,19).
What are the key properties of 1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione has a molecular weight of 270.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 130182854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).