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

C10H8F3N3O — CID 115044938

IUPAC3-(aminomethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNCc1cnc2cc(C(F)(F)F)ccn2c1=O
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-1-2-16-8(3-7)15-5-6(4-14)9(16)17/h1-3,5H,4,14H2
InChIKeyYINDNSUIAVLKNL-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.17
Rot. Bonds1

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

3-(aminomethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115044938) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 3-(aminomethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115044938
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name3-(aminomethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNCc1cnc2cc(C(F)(F)F)ccn2c1=O
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-1-2-16-8(3-7)15-5-6(4-14)9(16)17/h1-3,5H,4,14H2
InChIKeyYINDNSUIAVLKNL-UHFFFAOYSA-N
XLogP1.17
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-8-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 115048141
3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 118995444
7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 71280482
7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 119009669
2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115036986
3-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 82507970
4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]isoindol-1-one
CID 175972406
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-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 165479025
[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methanamine
CID 117258138
2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one
CID 132503374

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(aminomethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115044938) is 3-(aminomethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(aminomethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(aminomethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is NCc1cnc2cc(C(F)(F)F)ccn2c1=O.
What is the InChIKey of 3-(aminomethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YINDNSUIAVLKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)7-1-2-16-8(3-7)15-5-6(4-14)9(16)17/h1-3,5H,4,14H2.
What are the key properties of 3-(aminomethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
3-(aminomethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 243.19 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115044938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).