6-chloro-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one

C8H8ClF3N2O2 — CID 114581999

IUPAC6-chloro-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCOC(F)(F)F
InChIInChI=1S/C8H8ClF3N2O2/c1-5-13-6(9)4-7(15)14(5)2-3-16-8(10,11)12/h4H,2-3H2,1H3
InChIKeyACNHPGMCWCLHMO-UHFFFAOYSA-N
MW256.61 g/mol
LogP1.74
Rot. Bonds3

About 6-chloro-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one

6-chloro-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one (PubChem CID 114581999) has the molecular formula C8H8ClF3N2O2 and a molecular weight of 256.61 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
PubChem CID114581999
Molecular FormulaC8H8ClF3N2O2
Molecular Weight256.61 g/mol
Exact Mass256.02
IUPAC Name6-chloro-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCOC(F)(F)F
InChIInChI=1S/C8H8ClF3N2O2/c1-5-13-6(9)4-7(15)14(5)2-3-16-8(10,11)12/h4H,2-3H2,1H3
InChIKeyACNHPGMCWCLHMO-UHFFFAOYSA-N
XLogP1.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.61
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Iodo-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 66342935
6-Chloro-2-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
CID 106705726
6-Chloro-2-ethyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
CID 106705732
6-Chloro-2-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 113604634
6-Chloro-2-propan-2-yl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
CID 113867398
6-Chloro-2-methyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114581616
6-Chloro-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114581628
6-Chloro-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 114581643
6-Chloro-2-methyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114581717
6-Chloro-3-(2,2-difluoroethyl)-2-methylpyrimidin-4-one
CID 114581781
6-Chloro-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114581981
6-Chloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114582422

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one (CID 114581999) is 6-chloro-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCOC(F)(F)F.
What is the InChIKey of 6-chloro-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The InChIKey is ACNHPGMCWCLHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O2/c1-5-13-6(9)4-7(15)14(5)2-3-16-8(10,11)12/h4H,2-3H2,1H3.
What are the key properties of 6-chloro-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
6-chloro-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one has a molecular weight of 256.61 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114581999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).