6-propan-2-yl-4-(trifluoromethyl)-1H-pyrimidin-2-one

C8H9F3N2O — CID 13320944

IUPAC6-propan-2-yl-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCC(C)c1cc(C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C8H9F3N2O/c1-4(2)5-3-6(8(9,10)11)13-7(14)12-5/h3-4H,1-2H3,(H,12,13,14)
InChIKeyAQWLZWSKVPQCSE-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.91
Rot. Bonds1

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

6-propan-2-yl-4-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 13320944) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 6-propan-2-yl-4-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-propan-2-yl-4-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID13320944
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name6-propan-2-yl-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCC(C)c1cc(C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C8H9F3N2O/c1-4(2)5-3-6(8(9,10)11)13-7(14)12-5/h3-4H,1-2H3,(H,12,13,14)
InChIKeyAQWLZWSKVPQCSE-UHFFFAOYSA-N
XLogP1.91
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-propan-2-yl-4-(trifluoromethyl)-1H-pyrimidin-2-one (CID 13320944) is 6-propan-2-yl-4-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-propan-2-yl-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-propan-2-yl-4-(trifluoromethyl)-1H-pyrimidin-2-one is CC(C)c1cc(C(F)(F)F)nc(=O)[nH]1.
What is the InChIKey of 6-propan-2-yl-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is AQWLZWSKVPQCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-4(2)5-3-6(8(9,10)11)13-7(14)12-5/h3-4H,1-2H3,(H,12,13,14).
What are the key properties of 6-propan-2-yl-4-(trifluoromethyl)-1H-pyrimidin-2-one?
6-propan-2-yl-4-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 206.17 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 13320944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).