1-methyl-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione

C13H11F3N2O3 — CID 57309617

IUPAC1-methyl-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(OCc2ccccc2)c1=O
InChIInChI=1S/C13H11F3N2O3/c1-17-10(13(14,15)16)7-11(19)18(12(17)20)21-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyACGNNBHDBXKOCN-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.19
Rot. Bonds3

About 1-methyl-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione

1-methyl-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 57309617) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-methyl-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID57309617
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Name1-methyl-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(OCc2ccccc2)c1=O
InChIInChI=1S/C13H11F3N2O3/c1-17-10(13(14,15)16)7-11(19)18(12(17)20)21-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyACGNNBHDBXKOCN-UHFFFAOYSA-N
XLogP1.19
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-phenylmethoxy-6-(trifluoromethyl)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-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 57309617) is 1-methyl-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(OCc2ccccc2)c1=O.
What is the InChIKey of 1-methyl-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is ACGNNBHDBXKOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c1-17-10(13(14,15)16)7-11(19)18(12(17)20)21-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3.
What are the key properties of 1-methyl-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione?
1-methyl-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 300.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 57309617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).