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

C9H10ClF3N2O2 — CID 114584491

IUPAC6-chloro-2-ethyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CCOC(F)(F)F
InChIInChI=1S/C9H10ClF3N2O2/c1-2-7-14-6(10)5-8(16)15(7)3-4-17-9(11,12)13/h5H,2-4H2,1H3
InChIKeyUJLVYPPCUKWSPU-UHFFFAOYSA-N
MW270.64 g/mol
LogP2.00
Rot. Bonds4

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

6-chloro-2-ethyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one (PubChem CID 114584491) has the molecular formula C9H10ClF3N2O2 and a molecular weight of 270.64 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
PubChem CID114584491
Molecular FormulaC9H10ClF3N2O2
Molecular Weight270.64 g/mol
Exact Mass270.04
IUPAC Name6-chloro-2-ethyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CCOC(F)(F)F
InChIInChI=1S/C9H10ClF3N2O2/c1-2-7-14-6(10)5-8(16)15(7)3-4-17-9(11,12)13/h5H,2-4H2,1H3
InChIKeyUJLVYPPCUKWSPU-UHFFFAOYSA-N
XLogP2.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-ethyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one (CID 114584491) is 6-chloro-2-ethyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-ethyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-ethyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one is CCc1nc(Cl)cc(=O)n1CCOC(F)(F)F.
What is the InChIKey of 6-chloro-2-ethyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The InChIKey is UJLVYPPCUKWSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O2/c1-2-7-14-6(10)5-8(16)15(7)3-4-17-9(11,12)13/h5H,2-4H2,1H3.
What are the key properties of 6-chloro-2-ethyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
6-chloro-2-ethyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one has a molecular weight of 270.64 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114584491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).