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

C9H6F3N3O — CID 115036986

IUPAC2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNc1cc(=O)n2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)5-1-2-15-7(3-5)14-6(13)4-8(15)16/h1-4H,13H2
InChIKeyWCLPAOUALGPEJD-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.30
Rot. Bonds

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

2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115036986) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115036986
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNc1cc(=O)n2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)5-1-2-15-7(3-5)14-6(13)4-8(15)16/h1-4H,13H2
InChIKeyWCLPAOUALGPEJD-UHFFFAOYSA-N
XLogP1.30
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one
CID 83898761
2-(piperidin-4-ylmethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054700
2-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 165479025
1-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82530092
2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 115015290
3-(aminomethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115044938
2-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82530159
2-chloro-3-(2-methylpropyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 165479024
2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82529869
7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 3696703
2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82529890
7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
CID 105488862

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115036986) is 2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is Nc1cc(=O)n2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WCLPAOUALGPEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c10-9(11,12)5-1-2-15-7(3-5)14-6(13)4-8(15)16/h1-4H,13H2.
What are the key properties of 2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 229.16 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115036986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).