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

C6H5F3N2O2 — CID 13004982

IUPAC1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1cc(C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C6H5F3N2O2/c1-11-2-3(6(7,8)9)4(12)10-5(11)13/h2H,1H3,(H,10,12,13)
InChIKeyZFUWFGIRLONWAI-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.09
Rot. Bonds

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

1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 13004982) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID13004982
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1cc(C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C6H5F3N2O2/c1-11-2-3(6(7,8)9)4(12)10-5(11)13/h2H,1H3,(H,10,12,13)
InChIKeyZFUWFGIRLONWAI-UHFFFAOYSA-N
XLogP0.09
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thymine
CID 1135
Trifluoromethyluracil
CID 5899
1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
5-trifluoromethyl-N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71720653
5-Fluoro-1-methyl-2,4(1H,3H)-pyrimidinedione
CID 78957
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 235106
1-Acetyl-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 277733
5-Fluoro-3-methylpyrimidine-2,4(1H,3H)-dione
CID 330104
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 12692638
1-Vinylthymine
CID 4652520
N(1)-(2-formylethyl)-5-fluorouracil
CID 92003

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione (CID 13004982) is 1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione is Cn1cc(C(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is ZFUWFGIRLONWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c1-11-2-3(6(7,8)9)4(12)10-5(11)13/h2H,1H3,(H,10,12,13).
What are the key properties of 1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 194.11 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 13004982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).