1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C7H7F3N2O2 — CID 57230992

IUPAC1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCc1c(C(F)(F)F)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C7H7F3N2O2/c1-3-4(7(8,9)10)12(2)6(14)11-5(3)13/h1-2H3,(H,11,13,14)
InChIKeyZEXVDPAIRLVYQP-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.40
Rot. Bonds

About 1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione

1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 57230992) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID57230992
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCc1c(C(F)(F)F)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C7H7F3N2O2/c1-3-4(7(8,9)10)12(2)6(14)11-5(3)13/h1-2H3,(H,11,13,14)
InChIKeyZEXVDPAIRLVYQP-UHFFFAOYSA-N
XLogP0.40
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5,6-Trimethyluracil
CID 98786
1,6-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 14566662
1-Methyl-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
CID 13004982
6-Fluoro-1,5-dimethylpyrimidine-2,4(1H,3H)-dione
CID 22832106
Di-methyl-5-fluorouracil
CID 60060121
1,5,6-Trimethyluracil
CID 22223251
6-Fluoro-3,5-dimethylpyrimidine-2,4(1H,3H)-dione
CID 71336813
1-Methyl-6-trifluoromethylpyrimidine-2,4-dione
CID 11435480
1-Ethyl-5-trifluoromethyl uracil
CID 20731843
3-Methyl-6-(trifluoromethyl)uracil
CID 21824424
6-[3-Fluoro-2-(fluoromethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione
CID 54672076
6-Amino-1,3-dimethyl-5-trifluoromethyluracil
CID 57693260

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 57230992) is 1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cc1c(C(F)(F)F)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is ZEXVDPAIRLVYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-3-4(7(8,9)10)12(2)6(14)11-5(3)13/h1-2H3,(H,11,13,14).
What are the key properties of 1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 208.14 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 57230992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).