4,5-dimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine

C7H9F3N2 — CID 166907420

IUPAC4,5-dimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine
SMILESCC1=C(C(F)(F)F)NC=NC1C
InChIInChI=1S/C7H9F3N2/c1-4-5(2)11-3-12-6(4)7(8,9)10/h3,5H,1-2H3,(H,11,12)
InChIKeyHJEYCGAEHDMBGK-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.84
Rot. Bonds

About 4,5-dimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine

4,5-dimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine (PubChem CID 166907420) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 4,5-dimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine
PubChem CID166907420
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name4,5-dimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine
SMILESCC1=C(C(F)(F)F)NC=NC1C
InChIInChI=1S/C7H9F3N2/c1-4-5(2)11-3-12-6(4)7(8,9)10/h3,5H,1-2H3,(H,11,12)
InChIKeyHJEYCGAEHDMBGK-UHFFFAOYSA-N
XLogP1.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine?
The IUPAC name of 4,5-dimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine (CID 166907420) is 4,5-dimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 4,5-dimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine?
The canonical SMILES for 4,5-dimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine is CC1=C(C(F)(F)F)NC=NC1C.
What is the InChIKey of 4,5-dimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine?
The InChIKey is HJEYCGAEHDMBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-4-5(2)11-3-12-6(4)7(8,9)10/h3,5H,1-2H3,(H,11,12).
What are the key properties of 4,5-dimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine?
4,5-dimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine has a molecular weight of 178.16 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 166907420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).