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

C13H13F3N2O — CID 141214891

IUPAC2-butyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1cc(=O)n2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C13H13F3N2O/c1-2-3-4-10-8-12(19)18-6-5-9(13(14,15)16)7-11(18)17-10/h5-8H,2-4H2,1H3
InChIKeyYIPLGSCQHQUSIL-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.06
Rot. Bonds3

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

2-butyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 141214891) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-butyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-butyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID141214891
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name2-butyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1cc(=O)n2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C13H13F3N2O/c1-2-3-4-10-8-12(19)18-6-5-9(13(14,15)16)7-11(18)17-10/h5-8H,2-4H2,1H3
InChIKeyYIPLGSCQHQUSIL-UHFFFAOYSA-N
XLogP3.06
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
7-Methyl-2-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2439152
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-ethyl-2-methyl-, monohydrochloride
CID 3053744
4H-Pyrido(1,2-a)pyrimidin-4-one, 2-methyl-3-propyl-, monohydrochloride
CID 3053746
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-butyl-2-methyl-, monohydrochloride
CID 3053748
3-Ethyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 23345425
2,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12369824
7-Methyl-2-(1-piperidylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 390351
2-(3-Chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one
CID 10592573
2-(1,1,2,2,3,3,4,4,5,5,5-Undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one
CID 10621694
2-(3-Chloro-1,1,2,2,3,3-hexafluoropropyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 10641215
2-(5-Chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 10837029

Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-butyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 141214891) is 2-butyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-butyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-butyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is CCCCc1cc(=O)n2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-butyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YIPLGSCQHQUSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-2-3-4-10-8-12(19)18-6-5-9(13(14,15)16)7-11(18)17-10/h5-8H,2-4H2,1H3.
What are the key properties of 2-butyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-butyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 270.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 141214891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).