3-amino-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one

C10H7F3N4O — CID 118155279

IUPAC3-amino-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one
SMILESNc1cccn(-c2ncc(C(F)(F)F)cn2)c1=O
InChIInChI=1S/C10H7F3N4O/c11-10(12,13)6-4-15-9(16-5-6)17-3-1-2-7(14)8(17)18/h1-5H,14H2
InChIKeyFXKIFOLSYQDTOO-UHFFFAOYSA-N
MW256.19 g/mol
LogP1.23
Rot. Bonds1

About 3-amino-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one

3-amino-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one (PubChem CID 118155279) has the molecular formula C10H7F3N4O and a molecular weight of 256.19 g/mol. Its IUPAC name is 3-amino-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one
PubChem CID118155279
Molecular FormulaC10H7F3N4O
Molecular Weight256.19 g/mol
Exact Mass256.06
IUPAC Name3-amino-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one
SMILESNc1cccn(-c2ncc(C(F)(F)F)cn2)c1=O
InChIInChI=1S/C10H7F3N4O/c11-10(12,13)6-4-15-9(16-5-6)17-3-1-2-7(14)8(17)18/h1-5H,14H2
InChIKeyFXKIFOLSYQDTOO-UHFFFAOYSA-N
XLogP1.23
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(trifluoromethyl)pyrimidin-2-amine
CID 15273574
3-amino-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one
CID 167134497
3-amino-1-[4-(trifluoromethyl)phenyl]pyrazin-2-one
CID 172903263
1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine
CID 170699249
3-amino-1-(1,4-dimethyl-4H-pyrazol-1-ium-3-yl)pyridin-2-one
CID 153425289
3-amino-1-(4-morpholin-4-ylphenyl)pyridin-2-one
CID 118155230
molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine
CID 153387486
3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
CID 154630724
3-amino-1-(5-fluoro-1,2-dihydropyridin-6-yl)pyridin-2-one
CID 137450774
4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
CID 129105303
3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 18439300
phenyl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 171778996

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one?
The IUPAC name of 3-amino-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one (CID 118155279) is 3-amino-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one is Nc1cccn(-c2ncc(C(F)(F)F)cn2)c1=O.
What is the InChIKey of 3-amino-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one?
The InChIKey is FXKIFOLSYQDTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O/c11-10(12,13)6-4-15-9(16-5-6)17-3-1-2-7(14)8(17)18/h1-5H,14H2.
What are the key properties of 3-amino-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one?
3-amino-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one has a molecular weight of 256.19 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one is sourced from PubChem (CID 118155279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).