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

C9H12F3N3O2 — CID 136741319

IUPAC2-[ethyl(2-hydroxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCN(CCO)c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H12F3N3O2/c1-2-15(3-4-16)8-13-6(9(10,11)12)5-7(17)14-8/h5,16H,2-4H2,1H3,(H,13,14,17)
InChIKeyAHCURWWBQMABPS-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.61
Rot. Bonds4

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

2-[ethyl(2-hydroxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136741319) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136741319
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCN(CCO)c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H12F3N3O2/c1-2-15(3-4-16)8-13-6(9(10,11)12)5-7(17)14-8/h5,16H,2-4H2,1H3,(H,13,14,17)
InChIKeyAHCURWWBQMABPS-UHFFFAOYSA-N
XLogP0.61
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxyethyl)amino]-6-methylpyrimidin-4(3H)-one
CID 135403602
2-(2-hydroxyethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136388264
N-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-N-propylacetamide
CID 172437682
2-(2-Hydroxyethylamino)-3,6-dimethylpyrimidin-4(3h)-one
CID 11615291
2-(2-Hydroxyethyl)amino-1,6-dimethyl-pyrimidin-4(1h)-one
CID 12139398
2-Diethylamino-4-hydroxy-6-trifluoromethylpyrimidine
CID 135603401
2-Dipropylamino-6-trifluoromethyl-pyrimidin-4-ol
CID 135603402
2-(4-Morpholinyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone
CID 136300157
2-[2-(2-hydroxyethoxy)ethylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350748
2-(1-hydroxybutan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350763
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136388241
2-(3-hydroxypropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136388265

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136741319) is 2-[ethyl(2-hydroxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is CCN(CCO)c1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is AHCURWWBQMABPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-2-15(3-4-16)8-13-6(9(10,11)12)5-7(17)14-8/h5,16H,2-4H2,1H3,(H,13,14,17).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-[ethyl(2-hydroxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 251.21 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).