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

C19H16ClF3N2O — CID 24994365

IUPAC2-butyl-3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1nc2ccccn2c(=O)c1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H16ClF3N2O/c1-2-3-6-15-17(18(26)25-10-5-4-7-16(25)24-15)12-8-9-14(20)13(11-12)19(21,22)23/h4-5,7-11H,2-3,6H2,1H3
InChIKeyYVCXJLUADGVPCO-UHFFFAOYSA-N
MW380.80 g/mol
LogP5.38
Rot. Bonds4

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

2-butyl-3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 24994365) has the molecular formula C19H16ClF3N2O and a molecular weight of 380.80 g/mol. Its IUPAC name is 2-butyl-3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-butyl-3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID24994365
Molecular FormulaC19H16ClF3N2O
Molecular Weight380.80 g/mol
Exact Mass380.09
IUPAC Name2-butyl-3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1nc2ccccn2c(=O)c1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H16ClF3N2O/c1-2-3-6-15-17(18(26)25-10-5-4-7-16(25)24-15)12-8-9-14(20)13(11-12)19(21,22)23/h4-5,7-11H,2-3,6H2,1H3
InChIKeyYVCXJLUADGVPCO-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-chloro-3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-butyl-3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one (CID 24994365) is 2-butyl-3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-butyl-3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-butyl-3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one is CCCCc1nc2ccccn2c(=O)c1-c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-butyl-3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YVCXJLUADGVPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O/c1-2-3-6-15-17(18(26)25-10-5-4-7-16(25)24-15)12-8-9-14(20)13(11-12)19(21,22)23/h4-5,7-11H,2-3,6H2,1H3.
What are the key properties of 2-butyl-3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one?
2-butyl-3-[4-chloro-3-(trifluoromethyl)phenyl]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-chloro-3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 24994365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).