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

C7H7F3N2O — CID 135419009

IUPAC4,5-dimethyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1nc(C(F)(F)F)[nH]c(=O)c1C
InChIInChI=1S/C7H7F3N2O/c1-3-4(2)11-6(7(8,9)10)12-5(3)13/h1-2H3,(H,11,12,13)
InChIKeyPJTCVDDPQWDCIW-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.41
Rot. Bonds

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

4,5-dimethyl-2-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135419009) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 4,5-dimethyl-2-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135419009
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name4,5-dimethyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1nc(C(F)(F)F)[nH]c(=O)c1C
InChIInChI=1S/C7H7F3N2O/c1-3-4(2)11-6(7(8,9)10)12-5(3)13/h1-2H3,(H,11,12,13)
InChIKeyPJTCVDDPQWDCIW-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 4,5-dimethyl-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135419009) is 4,5-dimethyl-2-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-(trifluoromethyl)-1H-pyrimidin-6-one is Cc1nc(C(F)(F)F)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is PJTCVDDPQWDCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-3-4(2)11-6(7(8,9)10)12-5(3)13/h1-2H3,(H,11,12,13).
What are the key properties of 4,5-dimethyl-2-(trifluoromethyl)-1H-pyrimidin-6-one?
4,5-dimethyl-2-(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 4,5-dimethyl-2-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135419009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).