4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one

C8H10F3N3O — CID 136802783

IUPAC4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCCNc1cc(=O)[nH]c(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-2-3-12-5-4-6(15)14-7(13-5)8(9,10)11/h4H,2-3H2,1H3,(H2,12,13,14,15)
InChIKeyZLBZRUPGBQCGAR-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.61
Rot. Bonds3

About 4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one

4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136802783) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136802783
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCCNc1cc(=O)[nH]c(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-2-3-12-5-4-6(15)14-7(13-5)8(9,10)11/h4H,2-3H2,1H3,(H2,12,13,14,15)
InChIKeyZLBZRUPGBQCGAR-UHFFFAOYSA-N
XLogP1.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-(propylamino)-1H-pyrimidin-6-one
CID 166556696
2-[2-(methylamino)ethyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103461
4-piperazin-1-yl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136327232
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136728229
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136728236
2-methyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786687
2-cyclopropyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786691
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786693
2-propan-2-yl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786694
4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802784
4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802785

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136802783) is 4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one is CCCNc1cc(=O)[nH]c(C(F)(F)F)n1.
What is the InChIKey of 4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is ZLBZRUPGBQCGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-2-3-12-5-4-6(15)14-7(13-5)8(9,10)11/h4H,2-3H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 221.18 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136802783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).