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

C6H5F3N2O2 — CID 11435480

IUPAC1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)[nH]c1=O
InChIInChI=1S/C6H5F3N2O2/c1-11-3(6(7,8)9)2-4(12)10-5(11)13/h2H,1H3,(H,10,12,13)
InChIKeyHMOPMAWBRBERLG-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.09
Rot. Bonds

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

1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 11435480) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID11435480
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)[nH]c1=O
InChIInChI=1S/C6H5F3N2O2/c1-11-3(6(7,8)9)2-4(12)10-5(11)13/h2H,1H3,(H,10,12,13)
InChIKeyHMOPMAWBRBERLG-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

6-Amino-1-methyluracil
CID 75520
6-(Trifluoromethyl)uracil
CID 233890
2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl-
CID 88193
Acetamide, 2,2,2-trifluoro-N-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-
CID 342904
2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-methyl-
CID 70505
6-(Difluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 99983450
Di-methyl-5-fluorouracil
CID 60060121
Divinylfluorouracil
CID 126697175
6-(fluoromethyl)-1H-pyrimidine-2,4-dione
CID 233894
3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
CID 1472056
6-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione monohydrate
CID 139079071
1,6-Dimethyluracil
CID 10606818

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 11435480) is 1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)[nH]c1=O.
What is the InChIKey of 1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is HMOPMAWBRBERLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c1-11-3(6(7,8)9)2-4(12)10-5(11)13/h2H,1H3,(H,10,12,13).
What are the key properties of 1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
1-methyl-6-(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-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11435480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).