2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one

C7H7F3N2O — CID 135852938

IUPAC2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H7F3N2O/c1-3-5(7(8,9)10)6(13)12-4(2)11-3/h1-2H3,(H,11,12,13)
InChIKeyCPHCMLPHTULDLR-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.41
Rot. Bonds

About 2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one

2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135852938) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135852938
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H7F3N2O/c1-3-5(7(8,9)10)6(13)12-4(2)11-3/h1-2H3,(H,11,12,13)
InChIKeyCPHCMLPHTULDLR-UHFFFAOYSA-N
XLogP1.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135852938) is 2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one is Cc1nc(C)c(C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is CPHCMLPHTULDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-3-5(7(8,9)10)6(13)12-4(2)11-3/h1-2H3,(H,11,12,13).
What are the key properties of 2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one?
2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 192.14 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135852938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).