2,4,5-trimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine

C8H11F3N2 — CID 91325912

IUPAC2,4,5-trimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine
SMILESCC1=NC(C)C(C)=C(C(F)(F)F)N1
InChIInChI=1S/C8H11F3N2/c1-4-5(2)12-6(3)13-7(4)8(9,10)11/h5H,1-3H3,(H,12,13)
InChIKeyUMGSWWYANFDJDR-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.23
Rot. Bonds

About 2,4,5-trimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine

2,4,5-trimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine (PubChem CID 91325912) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2,4,5-trimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2,4,5-trimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine
PubChem CID91325912
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name2,4,5-trimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine
SMILESCC1=NC(C)C(C)=C(C(F)(F)F)N1
InChIInChI=1S/C8H11F3N2/c1-4-5(2)12-6(3)13-7(4)8(9,10)11/h5H,1-3H3,(H,12,13)
InChIKeyUMGSWWYANFDJDR-UHFFFAOYSA-N
XLogP2.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-2,2,2-trifluoro-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]ethanimidamide
CID 90084221
2,6-dimethyl-7-(trifluoromethyl)-4,5-dihydro-1H-1,3-diazepine
CID 153684812
2,4,5,6-Tetramethyl-1,4-dihydropyrimidine
CID 91492600

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine?
The IUPAC name of 2,4,5-trimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine (CID 91325912) is 2,4,5-trimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 2,4,5-trimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine?
The canonical SMILES for 2,4,5-trimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine is CC1=NC(C)C(C)=C(C(F)(F)F)N1.
What is the InChIKey of 2,4,5-trimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine?
The InChIKey is UMGSWWYANFDJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-4-5(2)12-6(3)13-7(4)8(9,10)11/h5H,1-3H3,(H,12,13).
What are the key properties of 2,4,5-trimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine?
2,4,5-trimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine has a molecular weight of 192.18 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-6-(trifluoromethyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 91325912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).