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

C8H9F3N2O — CID 135678189

IUPAC2-propyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCCc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H9F3N2O/c1-2-3-6-12-5(8(9,10)11)4-7(14)13-6/h4H,2-3H2,1H3,(H,12,13,14)
InChIKeyQEAHBGOUIMYNFD-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.74
Rot. Bonds2

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

2-propyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135678189) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 2-propyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135678189
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name2-propyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCCc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H9F3N2O/c1-2-3-6-12-5(8(9,10)11)4-7(14)13-6/h4H,2-3H2,1H3,(H,12,13,14)
InChIKeyQEAHBGOUIMYNFD-UHFFFAOYSA-N
XLogP1.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-propyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135678189) is 2-propyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-propyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is CCCc1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-propyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is QEAHBGOUIMYNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-2-3-6-12-5(8(9,10)11)4-7(14)13-6/h4H,2-3H2,1H3,(H,12,13,14).
What are the key properties of 2-propyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-propyl-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 206.17 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135678189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).