6-hydroxy-1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyrimidine-2,4-dione

C14H12F3N3O3 — CID 2308729

IUPAC6-hydroxy-1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O
InChIInChI=1S/C14H12F3N3O3/c1-19-11(21)10(12(22)20(2)13(19)23)7-18-9-5-3-4-8(6-9)14(15,16)17/h3-7,21H,1-2H3/b18-7+
InChIKeyFMFFUYIONLKSHV-CNHKJKLMSA-N
MW327.26 g/mol
LogP1.56
Rot. Bonds2

About 6-hydroxy-1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyrimidine-2,4-dione (PubChem CID 2308729) has the molecular formula C14H12F3N3O3 and a molecular weight of 327.26 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyrimidine-2,4-dione
PubChem CID2308729
Molecular FormulaC14H12F3N3O3
Molecular Weight327.26 g/mol
Exact Mass327.08
IUPAC Name6-hydroxy-1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O
InChIInChI=1S/C14H12F3N3O3/c1-19-11(21)10(12(22)20(2)13(19)23)7-18-9-5-3-4-8(6-9)14(15,16)17/h3-7,21H,1-2H3/b18-7+
InChIKeyFMFFUYIONLKSHV-CNHKJKLMSA-N
XLogP1.56
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-hydroxy-1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]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 6-hydroxy-1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyrimidine-2,4-dione (CID 2308729) is 6-hydroxy-1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyrimidine-2,4-dione is Cn1c(O)c(/C=N/c2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyrimidine-2,4-dione?
The InChIKey is FMFFUYIONLKSHV-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H12F3N3O3/c1-19-11(21)10(12(22)20(2)13(19)23)7-18-9-5-3-4-8(6-9)14(15,16)17/h3-7,21H,1-2H3/b18-7+.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyrimidine-2,4-dione has a molecular weight of 327.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2308729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).