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

C9H11F3N2O — CID 11117547

IUPAC6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C9H11F3N2O/c1-5(2)3-6-4-7(9(10,11)12)14-8(15)13-6/h4-5H,3H2,1-2H3,(H,13,14,15)
InChIKeyAYBYVIBTAFCTRO-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.99
Rot. Bonds2

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

6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 11117547) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID11117547
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C9H11F3N2O/c1-5(2)3-6-4-7(9(10,11)12)14-8(15)13-6/h4-5H,3H2,1-2H3,(H,13,14,15)
InChIKeyAYBYVIBTAFCTRO-UHFFFAOYSA-N
XLogP1.99
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one (CID 11117547) is 6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one is CC(C)Cc1cc(C(F)(F)F)nc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is AYBYVIBTAFCTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5(2)3-6-4-7(9(10,11)12)14-8(15)13-6/h4-5H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 220.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 11117547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).