2-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl 2-(trifluoromethyl)benzoate

C19H15F3N2O3 — CID 177154417

IUPAC2-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl 2-(trifluoromethyl)benzoate
SMILESCc1ccn2c(=O)cc(CCOC(=O)c3ccccc3C(F)(F)F)nc2c1
InChIInChI=1S/C19H15F3N2O3/c1-12-6-8-24-16(10-12)23-13(11-17(24)25)7-9-27-18(26)14-4-2-3-5-15(14)19(20,21)22/h2-6,8,10-11H,7,9H2,1H3
InChIKeyDWYFBCKODSUBEK-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.42
Rot. Bonds4

About 2-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl 2-(trifluoromethyl)benzoate

2-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl 2-(trifluoromethyl)benzoate (PubChem CID 177154417) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 2-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl 2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name2-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl 2-(trifluoromethyl)benzoate
PubChem CID177154417
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name2-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl 2-(trifluoromethyl)benzoate
SMILESCc1ccn2c(=O)cc(CCOC(=O)c3ccccc3C(F)(F)F)nc2c1
InChIInChI=1S/C19H15F3N2O3/c1-12-6-8-24-16(10-12)23-13(11-17(24)25)7-9-27-18(26)14-4-2-3-5-15(14)19(20,21)22/h2-6,8,10-11H,7,9H2,1H3
InChIKeyDWYFBCKODSUBEK-UHFFFAOYSA-N
XLogP3.42
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl 2-(trifluoromethyl)benzoate?
The IUPAC name of 2-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl 2-(trifluoromethyl)benzoate (CID 177154417) is 2-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl 2-(trifluoromethyl)benzoate.
What is the SMILES notation for 2-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl 2-(trifluoromethyl)benzoate?
The canonical SMILES for 2-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl 2-(trifluoromethyl)benzoate is Cc1ccn2c(=O)cc(CCOC(=O)c3ccccc3C(F)(F)F)nc2c1.
What is the InChIKey of 2-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl 2-(trifluoromethyl)benzoate?
The InChIKey is DWYFBCKODSUBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-12-6-8-24-16(10-12)23-13(11-17(24)25)7-9-27-18(26)14-4-2-3-5-15(14)19(20,21)22/h2-6,8,10-11H,7,9H2,1H3.
What are the key properties of 2-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl 2-(trifluoromethyl)benzoate?
2-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl 2-(trifluoromethyl)benzoate has a molecular weight of 376.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl 2-(trifluoromethyl)benzoate is sourced from PubChem (CID 177154417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).