2-(aminomethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C10H8F3N3O — CID 115044937

IUPAC2-(aminomethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNCc1cc(=O)n2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-2-1-3-16-8(17)4-6(5-14)15-9(7)16/h1-4H,5,14H2
InChIKeyVCIQFISTDCBRET-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.17
Rot. Bonds1

About 2-(aminomethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

2-(aminomethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115044937) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 2-(aminomethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115044937
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name2-(aminomethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNCc1cc(=O)n2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-2-1-3-16-8(17)4-6(5-14)15-9(7)16/h1-4H,5,14H2
InChIKeyVCIQFISTDCBRET-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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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(aminomethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115044937) is 2-(aminomethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(aminomethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(aminomethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is NCc1cc(=O)n2cccc(C(F)(F)F)c2n1.
What is the InChIKey of 2-(aminomethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VCIQFISTDCBRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)7-2-1-3-16-8(17)4-6(5-14)15-9(7)16/h1-4H,5,14H2.
What are the key properties of 2-(aminomethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(aminomethyl)-9-(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 2-(aminomethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115044937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).