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

C6H5F3N2O2 — CID 67893557

IUPAC6-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c1-2-3(6(7,8)9)4(12)11-5(13)10-2/h1H3,(H2,10,11,12,13)
InChIKeyFQOBVYMVJCJZPC-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.39
Rot. Bonds

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

6-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 67893557) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 6-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID67893557
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name6-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c1-2-3(6(7,8)9)4(12)11-5(13)10-2/h1H3,(H2,10,11,12,13)
InChIKeyFQOBVYMVJCJZPC-UHFFFAOYSA-N
XLogP0.39
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Dimethyluracil
CID 96031
5-Fluoro-6-methyluracil
CID 233893
6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 351378
6-Fluoro-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 193677
1,5-Dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 57230992
5,6-Bis(trifluoromethyl)uracil
CID 57693359
6-(chloromethyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 66972063
5-methyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
CID 68408410
3-fluoro-5,6-dimethyl-1H-pyrimidine-2,4-dione
CID 88845333
6-(Difluoromethyl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 126849411
6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 129278642
6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4594679

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 67893557) is 6-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of 6-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is FQOBVYMVJCJZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c1-2-3(6(7,8)9)4(12)11-5(13)10-2/h1H3,(H2,10,11,12,13).
What are the key properties of 6-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
6-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 194.11 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67893557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).