2-[bis(prop-2-enyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C11H12F3N3O — CID 136741417

IUPAC2-[bis(prop-2-enyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESC=CCN(CC=C)c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C11H12F3N3O/c1-3-5-17(6-4-2)10-15-8(11(12,13)14)7-9(18)16-10/h3-4,7H,1-2,5-6H2,(H,15,16,18)
InChIKeyFJEMFKXVBWMWSU-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.97
Rot. Bonds5

About 2-[bis(prop-2-enyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-[bis(prop-2-enyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136741417) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136741417
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name2-[bis(prop-2-enyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESC=CCN(CC=C)c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C11H12F3N3O/c1-3-5-17(6-4-2)10-15-8(11(12,13)14)7-9(18)16-10/h3-4,7H,1-2,5-6H2,(H,15,16,18)
InChIKeyFJEMFKXVBWMWSU-UHFFFAOYSA-N
XLogP1.97
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[bis(prop-2-enyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one 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 2-[bis(prop-2-enyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136741417) is 2-[bis(prop-2-enyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is C=CCN(CC=C)c1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is FJEMFKXVBWMWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c1-3-5-17(6-4-2)10-15-8(11(12,13)14)7-9(18)16-10/h3-4,7H,1-2,5-6H2,(H,15,16,18).
What are the key properties of 2-[bis(prop-2-enyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-[bis(prop-2-enyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 259.23 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).