5-acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione

C10H11F3N2O3 — CID 80649874

IUPAC5-acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H11F3N2O3/c1-6(16)7-5-15(4-3-10(11,12)13)9(18)14(2)8(7)17/h5H,3-4H2,1-2H3
InChIKeyDFAVZRZCMPMHJK-UHFFFAOYSA-N
MW264.20 g/mol
LogP0.70
Rot. Bonds3

About 5-acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione

5-acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione (PubChem CID 80649874) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 5-acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
PubChem CID80649874
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name5-acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H11F3N2O3/c1-6(16)7-5-15(4-3-10(11,12)13)9(18)14(2)8(7)17/h5H,3-4H2,1-2H3
InChIKeyDFAVZRZCMPMHJK-UHFFFAOYSA-N
XLogP0.70
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione (CID 80649874) is 5-acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione is CC(=O)c1cn(CCC(F)(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione?
The InChIKey is DFAVZRZCMPMHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-6(16)7-5-15(4-3-10(11,12)13)9(18)14(2)8(7)17/h5H,3-4H2,1-2H3.
What are the key properties of 5-acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione?
5-acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione has a molecular weight of 264.20 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 80649874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).