3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide

C15H21F3N4O3 — CID 55715836

IUPAC3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide
SMILESCN(CCCNC(=O)C=Cc1cn(C)c(=O)n(C)c1=O)CC(F)(F)F
InChIInChI=1S/C15H21F3N4O3/c1-20(10-15(16,17)18)8-4-7-19-12(23)6-5-11-9-21(2)14(25)22(3)13(11)24/h5-6,9H,4,7-8,10H2,1-3H3,(H,19,23)
InChIKeyIZVCWPKAAUIFEY-UHFFFAOYSA-N
MW362.35 g/mol
LogP0.10
Rot. Bonds7

About 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide

3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide (PubChem CID 55715836) has the molecular formula C15H21F3N4O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide.

Molecular Properties

Compound Name3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide
PubChem CID55715836
Molecular FormulaC15H21F3N4O3
Molecular Weight362.35 g/mol
Exact Mass362.16
IUPAC Name3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide
SMILESCN(CCCNC(=O)C=Cc1cn(C)c(=O)n(C)c1=O)CC(F)(F)F
InChIInChI=1S/C15H21F3N4O3/c1-20(10-15(16,17)18)8-4-7-19-12(23)6-5-11-9-21(2)14(25)22(3)13(11)24/h5-6,9H,4,7-8,10H2,1-3H3,(H,19,23)
InChIKeyIZVCWPKAAUIFEY-UHFFFAOYSA-N
XLogP0.10
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide 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-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide?
The IUPAC name of 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide (CID 55715836) is 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide.
What is the SMILES notation for 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide?
The canonical SMILES for 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide is CN(CCCNC(=O)C=Cc1cn(C)c(=O)n(C)c1=O)CC(F)(F)F.
What is the InChIKey of 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide?
The InChIKey is IZVCWPKAAUIFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O3/c1-20(10-15(16,17)18)8-4-7-19-12(23)6-5-11-9-21(2)14(25)22(3)13(11)24/h5-6,9H,4,7-8,10H2,1-3H3,(H,19,23).
What are the key properties of 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide?
3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide has a molecular weight of 362.35 g/mol, XLogP of 0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide is sourced from PubChem (CID 55715836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).