1,3-dimethyl-5-[2-(2,2,2-trifluoroethoxy)acetyl]pyrimidine-2,4-dione

C10H11F3N2O4 — CID 103206504

IUPAC1,3-dimethyl-5-[2-(2,2,2-trifluoroethoxy)acetyl]pyrimidine-2,4-dione
SMILESCn1cc(C(=O)COCC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H11F3N2O4/c1-14-3-6(8(17)15(2)9(14)18)7(16)4-19-5-10(11,12)13/h3H,4-5H2,1-2H3
InChIKeyGKBGGTCACQCVJH-UHFFFAOYSA-N
MW280.20 g/mol
LogP-0.15
Rot. Bonds4

About 1,3-dimethyl-5-[2-(2,2,2-trifluoroethoxy)acetyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[2-(2,2,2-trifluoroethoxy)acetyl]pyrimidine-2,4-dione (PubChem CID 103206504) has the molecular formula C10H11F3N2O4 and a molecular weight of 280.20 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-(2,2,2-trifluoroethoxy)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-(2,2,2-trifluoroethoxy)acetyl]pyrimidine-2,4-dione
PubChem CID103206504
Molecular FormulaC10H11F3N2O4
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC Name1,3-dimethyl-5-[2-(2,2,2-trifluoroethoxy)acetyl]pyrimidine-2,4-dione
SMILESCn1cc(C(=O)COCC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H11F3N2O4/c1-14-3-6(8(17)15(2)9(14)18)7(16)4-19-5-10(11,12)13/h3H,4-5H2,1-2H3
InChIKeyGKBGGTCACQCVJH-UHFFFAOYSA-N
XLogP-0.15
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-Acetyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
CID 80501135
5-Acetyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 80648659
5-Acetyl-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione
CID 80649448
Ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoacetate
CID 320026
2-[2-(1,3-Dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]acetic acid
CID 61327396
Methyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoacetate
CID 112616422
5-Acetyl-1-(4-methoxybutyl)-3-methylpyrimidine-2,4-dione
CID 113436943

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-(2,2,2-trifluoroethoxy)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[2-(2,2,2-trifluoroethoxy)acetyl]pyrimidine-2,4-dione (CID 103206504) is 1,3-dimethyl-5-[2-(2,2,2-trifluoroethoxy)acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[2-(2,2,2-trifluoroethoxy)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[2-(2,2,2-trifluoroethoxy)acetyl]pyrimidine-2,4-dione is Cn1cc(C(=O)COCC(F)(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[2-(2,2,2-trifluoroethoxy)acetyl]pyrimidine-2,4-dione?
The InChIKey is GKBGGTCACQCVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4/c1-14-3-6(8(17)15(2)9(14)18)7(16)4-19-5-10(11,12)13/h3H,4-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[2-(2,2,2-trifluoroethoxy)acetyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[2-(2,2,2-trifluoroethoxy)acetyl]pyrimidine-2,4-dione has a molecular weight of 280.20 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-(2,2,2-trifluoroethoxy)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 103206504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).