CC1=CC(=O)NC(=N1)C(Cl)(Cl)Cl
CAS: 19573-81-0
Name: 4-methyl-2-(trichloromethyl)-1H-pyrimidin-6-one
SMILES: CC1=CC(=O)NC(=N1)C(Cl)(Cl)Cl

Molecular Processing

Molecular formula
C6H5Cl3N2O
Molecular weight
227.48
Exact mass
225.9467
XLogP
1.91
TPSA
45.75
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
48.83

Supplementary Information

InChIKey: PHBDQQQACWZOPY-UHFFFAOYSA-N
Synonyme
19573-81-06-methyl-2-(trichloromethyl)-3,4-dihydropyrimidin-4-oneSCHEMBL11095538PHBDQQQACWZOPY-UHFFFAOYSA-N4-hydroxy-6-methyl-2-trichloromethylpyrimidineEN300-7903196-Methyl-2-(trichloromethyl)pyrimidin-4(3H)-one
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