2-butyl-3-(4-chlorophenyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C19H16ClF3N2O — CID 24994680

IUPAC2-butyl-3-(4-chlorophenyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1nc2cc(C(F)(F)F)ccn2c(=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClF3N2O/c1-2-3-4-15-17(12-5-7-14(20)8-6-12)18(26)25-10-9-13(19(21,22)23)11-16(25)24-15/h5-11H,2-4H2,1H3
InChIKeyYTBASMOHBHHWDW-UHFFFAOYSA-N
MW380.80 g/mol
LogP5.38
Rot. Bonds4

About 2-butyl-3-(4-chlorophenyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

2-butyl-3-(4-chlorophenyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 24994680) has the molecular formula C19H16ClF3N2O and a molecular weight of 380.80 g/mol. Its IUPAC name is 2-butyl-3-(4-chlorophenyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-butyl-3-(4-chlorophenyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID24994680
Molecular FormulaC19H16ClF3N2O
Molecular Weight380.80 g/mol
Exact Mass380.09
IUPAC Name2-butyl-3-(4-chlorophenyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1nc2cc(C(F)(F)F)ccn2c(=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClF3N2O/c1-2-3-4-15-17(12-5-7-14(20)8-6-12)18(26)25-10-9-13(19(21,22)23)11-16(25)24-15/h5-11H,2-4H2,1H3
InChIKeyYTBASMOHBHHWDW-UHFFFAOYSA-N
XLogP5.38
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.80
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-(4-chlorophenyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-butyl-3-(4-chlorophenyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 24994680) is 2-butyl-3-(4-chlorophenyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-butyl-3-(4-chlorophenyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-butyl-3-(4-chlorophenyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is CCCCc1nc2cc(C(F)(F)F)ccn2c(=O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-butyl-3-(4-chlorophenyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YTBASMOHBHHWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O/c1-2-3-4-15-17(12-5-7-14(20)8-6-12)18(26)25-10-9-13(19(21,22)23)11-16(25)24-15/h5-11H,2-4H2,1H3.
What are the key properties of 2-butyl-3-(4-chlorophenyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-butyl-3-(4-chlorophenyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 380.80 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-(4-chlorophenyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 24994680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).