2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one

C10H12F3N3O — CID 136736696

IUPAC2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2(C(F)(F)F)CC2)cc(=O)[nH]1
InChIInChI=1S/C10H12F3N3O/c1-2-6-14-7(5-8(17)15-6)16-9(3-4-9)10(11,12)13/h5H,2-4H2,1H3,(H2,14,15,16,17)
InChIKeyGIRWZFVDICEOAS-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.84
Rot. Bonds3

About 2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one

2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one (PubChem CID 136736696) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
PubChem CID136736696
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2(C(F)(F)F)CC2)cc(=O)[nH]1
InChIInChI=1S/C10H12F3N3O/c1-2-6-14-7(5-8(17)15-6)16-9(3-4-9)10(11,12)13/h5H,2-4H2,1H3,(H2,14,15,16,17)
InChIKeyGIRWZFVDICEOAS-UHFFFAOYSA-N
XLogP1.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isopropyl-6-trifluoromethylpyrimidin-4-ol
CID 135753392
2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane
CID 145136644
2-(1-aminocyclopropyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136301481
2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736697
2-cyclopropyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786691
2-propan-2-yl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786694
2-cyclopropyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819409
2-ethyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973711
2-cyclopropyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973713
2-propan-2-yl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973715
2-ethyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975602
2-cyclopropyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975604

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one (CID 136736696) is 2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one is CCc1nc(NC2(C(F)(F)F)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
The InChIKey is GIRWZFVDICEOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-2-6-14-7(5-8(17)15-6)16-9(3-4-9)10(11,12)13/h5H,2-4H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one has a molecular weight of 247.22 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136736696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).