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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Related Compounds

2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115053369
2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115022990
2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119928920
2-ethyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 59532553
2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 157425844
1-amino-9-(trifluoromethyl)quinolizin-4-one
CID 115036492
2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid
CID 115031785
2-[(2-amino-2-methylpropyl)sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 66230419
ethyl 3-amino-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82529177
2-chloro-3-(3-methoxyphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 67201173
3-(chloromethyl)-2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 82529481
9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92861380

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).