6-chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one

C10H12ClF3N2O — CID 114584264

IUPAC6-chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CCCC(F)(F)F
InChIInChI=1S/C10H12ClF3N2O/c1-2-8-15-7(11)6-9(17)16(8)5-3-4-10(12,13)14/h6H,2-5H2,1H3
InChIKeyFLJYDAPGGGIODZ-UHFFFAOYSA-N
MW268.67 g/mol
LogP2.80
Rot. Bonds4

About 6-chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one

6-chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one (PubChem CID 114584264) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
PubChem CID114584264
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC Name6-chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CCCC(F)(F)F
InChIInChI=1S/C10H12ClF3N2O/c1-2-8-15-7(11)6-9(17)16(8)5-3-4-10(12,13)14/h6H,2-5H2,1H3
InChIKeyFLJYDAPGGGIODZ-UHFFFAOYSA-N
XLogP2.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-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

6-Chloro-3-(2-oxopropyl)-2-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 129197984
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-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 113604553
6-Chloro-2-propan-2-yl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 113604603
6-Chloro-2-propan-2-yl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
CID 113604616
6-Chloro-2-propan-2-yl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
CID 113867398
6-Chloro-3-[(3,3-difluorocyclopentyl)methyl]-2-ethylpyrimidin-4-one
CID 114224999
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one (CID 114584264) is 6-chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one is CCc1nc(Cl)cc(=O)n1CCCC(F)(F)F.
What is the InChIKey of 6-chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one?
The InChIKey is FLJYDAPGGGIODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O/c1-2-8-15-7(11)6-9(17)16(8)5-3-4-10(12,13)14/h6H,2-5H2,1H3.
What are the key properties of 6-chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one?
6-chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one has a molecular weight of 268.67 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one is sourced from PubChem (CID 114584264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).