5-(3-aminoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C8H8F3N3O — CID 169464105

IUPAC5-(3-aminoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNCC=Cc1c(C(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)6-5(2-1-3-12)7(15)14-4-13-6/h1-2,4H,3,12H2,(H,13,14,15)
InChIKeyJDMOYIWLCTYIIJ-UHFFFAOYSA-N
MW219.17 g/mol
LogP0.76
Rot. Bonds2

About 5-(3-aminoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

5-(3-aminoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 169464105) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 5-(3-aminoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-aminoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID169464105
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name5-(3-aminoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNCC=Cc1c(C(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)6-5(2-1-3-12)7(15)14-4-13-6/h1-2,4H,3,12H2,(H,13,14,15)
InChIKeyJDMOYIWLCTYIIJ-UHFFFAOYSA-N
XLogP0.76
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 176190069
5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one
CID 166841813
5-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136765451
5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one
CID 137262447
5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one
CID 142610499
5-(3-sulfanylprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 169455771
3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enal
CID 169459590
5-(3-azidoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 169462315
N-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169466068
tert-butyl N-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]carbamate
CID 169468114
5-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 169474177
5-(3-bromoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 169476050

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-aminoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 169464105) is 5-(3-aminoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-aminoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-aminoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is NCC=Cc1c(C(F)(F)F)nc[nH]c1=O.
What is the InChIKey of 5-(3-aminoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is JDMOYIWLCTYIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-8(10,11)6-5(2-1-3-12)7(15)14-4-13-6/h1-2,4H,3,12H2,(H,13,14,15).
What are the key properties of 5-(3-aminoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
5-(3-aminoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 219.17 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 169464105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).