7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C10H7F3N2O — CID 83401966

IUPAC7-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC1=CN2C(=NC(=CC2=O)C(F)(F)F)C=C1
InChIInChI=1S/C10H7F3N2O/c1-6-2-3-8-14-7(10(11,12)13)4-9(16)15(8)5-6/h2-5H,1H3
InChIKeyBMAGQHJOVVMYKE-UHFFFAOYSA-N
MW228.17 g/mol
LogP1.00
Rot. Bonds

About 7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 83401966) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 7-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID83401966
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name7-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC1=CN2C(=NC(=CC2=O)C(F)(F)F)C=C1
InChIInChI=1S/C10H7F3N2O/c1-6-2-3-8-14-7(10(11,12)13)4-9(16)15(8)5-6/h2-5H,1H3
InChIKeyBMAGQHJOVVMYKE-UHFFFAOYSA-N
XLogP1.00
TPSA32.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity469

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
2-Chloro-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266518
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-ethyl-2-methyl-, monohydrochloride
CID 3053744
2-(Chloromethyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 2434807
2-[[3-Chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 2085635
7-Bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2649456
3-Chloro-2,7-dimethyl-pyrido[1,2-a]pyrimidin-4-one
CID 740856
3-Ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 12527405
3-Ethyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 23345425
N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide
CID 18566185
7-(Trifluoromethyl)-2,3-dihydro-4h-pyrido[1,2-a]pyrimidin-4-one
CID 129892467

Frequently Asked Questions

What is the IUPAC name of 7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 83401966) is 7-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is CC1=CN2C(=NC(=CC2=O)C(F)(F)F)C=C1.
What is the InChIKey of 7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BMAGQHJOVVMYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-6-2-3-8-14-7(10(11,12)13)4-9(16)15(8)5-6/h2-5H,1H3.
What are the key properties of 7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 228.17 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83401966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).