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

C9H11F3N2O — CID 106659471

IUPAC6-butyl-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCCCCc1cc(C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C9H11F3N2O/c1-2-3-4-6-5-7(9(10,11)12)14-8(15)13-6/h5H,2-4H2,1H3,(H,13,14,15)
InChIKeyXFYZMVBTBAMBJS-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.13
Rot. Bonds3

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

6-butyl-4-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 106659471) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 6-butyl-4-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-butyl-4-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID106659471
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name6-butyl-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCCCCc1cc(C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C9H11F3N2O/c1-2-3-4-6-5-7(9(10,11)12)14-8(15)13-6/h5H,2-4H2,1H3,(H,13,14,15)
InChIKeyXFYZMVBTBAMBJS-UHFFFAOYSA-N
XLogP2.13
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-6-(trifluoromethyl)pyrimidin-2-ol
CID 4913130
6-methyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrimidin-2-one
CID 135006296
4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one
CID 123325986
6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 11117547
4-Methyl-6-(trifluoromethyl)pyrimidin-2(1H)-one hydrochloride
CID 12343167
2(1H)-Pyrimidinone, 4-(1-methylethyl)-6-(trifluoromethyl)-
CID 13320944
2-Hydroxy-6-cyclopropyl-4-(trifluoromethyl)pyrimidine
CID 66545639
6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83849648
6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83849649
4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83849650
6-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-2-one
CID 133632808
6-butyl-1H-pyrimidin-2-one
CID 21740171

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-butyl-4-(trifluoromethyl)-1H-pyrimidin-2-one (CID 106659471) is 6-butyl-4-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-butyl-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-butyl-4-(trifluoromethyl)-1H-pyrimidin-2-one is CCCCc1cc(C(F)(F)F)nc(=O)[nH]1.
What is the InChIKey of 6-butyl-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is XFYZMVBTBAMBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-2-3-4-6-5-7(9(10,11)12)14-8(15)13-6/h5H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 6-butyl-4-(trifluoromethyl)-1H-pyrimidin-2-one?
6-butyl-4-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 220.19 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 106659471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).