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

C12H16F3N3O — CID 136741341

IUPAC2-[(4-methylcyclohexyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCC1CCC(Nc2nc(C(F)(F)F)cc(=O)[nH]2)CC1
InChIInChI=1S/C12H16F3N3O/c1-7-2-4-8(5-3-7)16-11-17-9(12(13,14)15)6-10(19)18-11/h6-8H,2-5H2,1H3,(H2,16,17,18,19)
InChIKeyAYEVIGWBQHMWSY-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.78
Rot. Bonds2

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

2-[(4-methylcyclohexyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136741341) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136741341
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-[(4-methylcyclohexyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCC1CCC(Nc2nc(C(F)(F)F)cc(=O)[nH]2)CC1
InChIInChI=1S/C12H16F3N3O/c1-7-2-4-8(5-3-7)16-11-17-9(12(13,14)15)6-10(19)18-11/h6-8H,2-5H2,1H3,(H2,16,17,18,19)
InChIKeyAYEVIGWBQHMWSY-UHFFFAOYSA-N
XLogP2.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-2-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137160189
2-(dimethylamino)-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide
CID 136349366
2-(hexylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350742
2-(cyclohexylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350751
2-[(2-methylcyclohexyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350754
2-(cycloheptylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350759
2-(3-methylbutylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350765
2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136371585
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136388227
2-(decylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136388231
2-(cyclododecylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136388233
2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136388242

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4-methylcyclohexyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136741341) is 2-[(4-methylcyclohexyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4-methylcyclohexyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4-methylcyclohexyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is CC1CCC(Nc2nc(C(F)(F)F)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is AYEVIGWBQHMWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-7-2-4-8(5-3-7)16-11-17-9(12(13,14)15)6-10(19)18-11/h6-8H,2-5H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-[(4-methylcyclohexyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-[(4-methylcyclohexyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 275.27 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).