2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-1H-pyrimidin-6-one

C12H8ClF3N2O2 — CID 134565213

IUPAC2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1cnc(-c2cccc(C(F)(F)F)c2Cl)[nH]c1=O
InChIInChI=1S/C12H8ClF3N2O2/c1-20-8-5-17-10(18-11(8)19)6-3-2-4-7(9(6)13)12(14,15)16/h2-5H,1H3,(H,17,18,19)
InChIKeyLUDSQAUGDCUURX-UHFFFAOYSA-N
MW304.66 g/mol
LogP3.12
Rot. Bonds2

About 2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-1H-pyrimidin-6-one

2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 134565213) has the molecular formula C12H8ClF3N2O2 and a molecular weight of 304.66 g/mol. Its IUPAC name is 2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID134565213
Molecular FormulaC12H8ClF3N2O2
Molecular Weight304.66 g/mol
Exact Mass304.02
IUPAC Name2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1cnc(-c2cccc(C(F)(F)F)c2Cl)[nH]c1=O
InChIInChI=1S/C12H8ClF3N2O2/c1-20-8-5-17-10(18-11(8)19)6-3-2-4-7(9(6)13)12(14,15)16/h2-5H,1H3,(H,17,18,19)
InChIKeyLUDSQAUGDCUURX-UHFFFAOYSA-N
XLogP3.12
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-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

Related Compounds

5-Methoxy-2-phenyl-4(3H)-pyrimidinone
CID 608706
2-[4-chloro-3-(trifluoromethyl)phenyl]-5-hydroxy-3-methylpyrimidin-4(3H)-one
CID 67419432
1-Benzyl-2-[[2-chloro-3-(trifluoromethyl)phenyl]methylamino]-5-methoxypyrimidin-4-one
CID 134290822
5-Methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinol
CID 1491565
5-methoxy-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 22100613
2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one
CID 58134290
2-(5-chloro-2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one
CID 60071092
2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methylpyrimidin-4(3H)-one
CID 67408142
[2-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidin-5-yl] ethyl carbonate
CID 87804917
2-(4-fluorophenyl)-5-methoxypyrimidin-4(3H)-one
CID 90046400
2-[2-Chloro-3-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134565200
1-Benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]-5-hydroxypyrimidin-4-one
CID 134565208

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-1H-pyrimidin-6-one (CID 134565213) is 2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-1H-pyrimidin-6-one is COc1cnc(-c2cccc(C(F)(F)F)c2Cl)[nH]c1=O.
What is the InChIKey of 2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is LUDSQAUGDCUURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2/c1-20-8-5-17-10(18-11(8)19)6-3-2-4-7(9(6)13)12(14,15)16/h2-5H,1H3,(H,17,18,19).
What are the key properties of 2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-1H-pyrimidin-6-one?
2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 304.66 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 134565213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).