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

C7H8F3N3O — CID 136957548

IUPAC4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC(F)(F)F)c1cc(=O)[nH]cn1
InChIInChI=1S/C7H8F3N3O/c1-13(3-7(8,9)10)5-2-6(14)12-4-11-5/h2,4H,3H2,1H3,(H,11,12,14)
InChIKeyHTOIIMZXKFZMQV-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.77
Rot. Bonds2

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

4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957548) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
PubChem CID136957548
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC(F)(F)F)c1cc(=O)[nH]cn1
InChIInChI=1S/C7H8F3N3O/c1-13(3-7(8,9)10)5-2-6(14)12-4-11-5/h2,4H,3H2,1H3,(H,11,12,14)
InChIKeyHTOIIMZXKFZMQV-UHFFFAOYSA-N
XLogP0.77
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Methylamino)pyrimidin-4-ol
CID 135481447
2-(ethylamino)-6-fluoro-1H-pyrimidin-4-one
CID 135506826
3-Methyl-6-(methylamino)-4(3H)-pyrimidinone
CID 55288147
6-(Dimethylamino)-4(3H)-pyrimidinone
CID 135755308
2-(Dimethylamino)-6-fluoropyrimidin-4(1H)-one
CID 135443836
2-(Ethylamino)-6-(trifluoromethyl)-4-pyrimidinol
CID 135484722
4-fluoro-2-(propylamino)-1H-pyrimidin-6-one
CID 166556696
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
4-[2-aminoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728230
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728238
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786693
4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802783

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one (CID 136957548) is 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one is CN(CC(F)(F)F)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is HTOIIMZXKFZMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-13(3-7(8,9)10)5-2-6(14)12-4-11-5/h2,4H,3H2,1H3,(H,11,12,14).
What are the key properties of 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one?
4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 207.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).