2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C9H11F3N2O2 — CID 135711056

IUPAC2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCC(C)COc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H11F3N2O2/c1-5(2)4-16-8-13-6(9(10,11)12)3-7(15)14-8/h3,5H,4H2,1-2H3,(H,13,14,15)
InChIKeyNBVHMXJIHUPFSU-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.82
Rot. Bonds3

About 2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135711056) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135711056
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCC(C)COc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H11F3N2O2/c1-5(2)4-16-8-13-6(9(10,11)12)3-7(15)14-8/h3,5H,4H2,1-2H3,(H,13,14,15)
InChIKeyNBVHMXJIHUPFSU-UHFFFAOYSA-N
XLogP1.82
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isopropoxy-4-methyl-6-hydroxypyrimidine
CID 135803833
2-Isopropoxy-6-(trifluoromethyl)pyrimidin-4-ol
CID 135442232
2-Methoxy-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135504050
2-propoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135711055
ethane;2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 144074754
2-n-Butoxy-4-hydroxy-6-methylpyrimidine
CID 137182906
2-Ethoxy-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135741815
2-Ethoxy-4-hydroxy-6-methylpyrimidine
CID 135803818
4-methyl-2-propoxy-1H-pyrimidin-6-one
CID 136649986

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135711056) is 2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one is CC(C)COc1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is NBVHMXJIHUPFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-5(2)4-16-8-13-6(9(10,11)12)3-7(15)14-8/h3,5H,4H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 236.19 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135711056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).