3-[4-[(3-amino-4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C19H14ClF4N3O3 — CID 18548229

IUPAC3-[4-[(3-amino-4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2ccc(OCc3ccc(Cl)c(N)c3)cc2F)c1=O
InChIInChI=1S/C19H14ClF4N3O3/c1-26-16(19(22,23)24)8-17(28)27(18(26)29)15-5-3-11(7-13(15)21)30-9-10-2-4-12(20)14(25)6-10/h2-8H,9,25H2,1H3
InChIKeyOMNBJOSCBMGJCC-UHFFFAOYSA-N
MW443.78 g/mol
LogP3.51
Rot. Bonds4

About 3-[4-[(3-amino-4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-[4-[(3-amino-4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 18548229) has the molecular formula C19H14ClF4N3O3 and a molecular weight of 443.78 g/mol. Its IUPAC name is 3-[4-[(3-amino-4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[4-[(3-amino-4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID18548229
Molecular FormulaC19H14ClF4N3O3
Molecular Weight443.78 g/mol
Exact Mass443.07
IUPAC Name3-[4-[(3-amino-4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2ccc(OCc3ccc(Cl)c(N)c3)cc2F)c1=O
InChIInChI=1S/C19H14ClF4N3O3/c1-26-16(19(22,23)24)8-17(28)27(18(26)29)15-5-3-11(7-13(15)21)30-9-10-2-4-12(20)14(25)6-10/h2-8H,9,25H2,1H3
InChIKeyOMNBJOSCBMGJCC-UHFFFAOYSA-N
XLogP3.51
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.78
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[4-[(3-amino-4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-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 3-[4-[(3-amino-4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[4-[(3-amino-4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 18548229) is 3-[4-[(3-amino-4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[4-[(3-amino-4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[4-[(3-amino-4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(OCc3ccc(Cl)c(N)c3)cc2F)c1=O.
What is the InChIKey of 3-[4-[(3-amino-4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is OMNBJOSCBMGJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF4N3O3/c1-26-16(19(22,23)24)8-17(28)27(18(26)29)15-5-3-11(7-13(15)21)30-9-10-2-4-12(20)14(25)6-10/h2-8H,9,25H2,1H3.
What are the key properties of 3-[4-[(3-amino-4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-[4-[(3-amino-4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 443.78 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-amino-4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 18548229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).