5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-dione

C14H12ClF3N4O3 — CID 4309245

IUPAC5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCNc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C14H12ClF3N4O3/c1-7(23)9-6-22(13(25)21-12(9)24)3-2-19-11-10(15)4-8(5-20-11)14(16,17)18/h4-6H,2-3H2,1H3,(H,19,20)(H,21,24,25)
InChIKeyZAHRPODITDJNQC-UHFFFAOYSA-N
MW376.72 g/mol
LogP1.92
Rot. Bonds5

About 5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-dione

5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-dione (PubChem CID 4309245) has the molecular formula C14H12ClF3N4O3 and a molecular weight of 376.72 g/mol. Its IUPAC name is 5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-dione
PubChem CID4309245
Molecular FormulaC14H12ClF3N4O3
Molecular Weight376.72 g/mol
Exact Mass376.06
IUPAC Name5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCNc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C14H12ClF3N4O3/c1-7(23)9-6-22(13(25)21-12(9)24)3-2-19-11-10(15)4-8(5-20-11)14(16,17)18/h4-6H,2-3H2,1H3,(H,19,20)(H,21,24,25)
InChIKeyZAHRPODITDJNQC-UHFFFAOYSA-N
XLogP1.92
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.72
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]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 5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-dione (CID 4309245) is 5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-dione is CC(=O)c1cn(CCNc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-dione?
The InChIKey is ZAHRPODITDJNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N4O3/c1-7(23)9-6-22(13(25)21-12(9)24)3-2-19-11-10(15)4-8(5-20-11)14(16,17)18/h4-6H,2-3H2,1H3,(H,19,20)(H,21,24,25).
What are the key properties of 5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-dione?
5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-dione has a molecular weight of 376.72 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 4309245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).