4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one

C9H12F3N3O — CID 136957580

IUPAC4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCN(CC(F)(F)F)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H12F3N3O/c1-3-15(5-9(10,11)12)7-4-8(16)14-6(2)13-7/h4H,3,5H2,1-2H3,(H,13,14,16)
InChIKeyDPDZHLFKISQEGM-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.47
Rot. Bonds3

About 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957580) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136957580
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCN(CC(F)(F)F)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H12F3N3O/c1-3-15(5-9(10,11)12)7-4-8(16)14-6(2)13-7/h4H,3,5H2,1-2H3,(H,13,14,16)
InChIKeyDPDZHLFKISQEGM-UHFFFAOYSA-N
XLogP1.47
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136737795
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136737800
2-ethyl-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136737802
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136737807
2-methyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786687
2-propan-2-yl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786694
4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802783
4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802784

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136957580) is 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one is CCN(CC(F)(F)F)c1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is DPDZHLFKISQEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-3-15(5-9(10,11)12)7-4-8(16)14-6(2)13-7/h4H,3,5H2,1-2H3,(H,13,14,16).
What are the key properties of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 235.21 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).