6-propyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione

C9H11F3N2O2 — CID 122239163

IUPAC6-propyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
SMILESCCCc1cc(=O)n(CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C9H11F3N2O2/c1-2-3-6-4-7(15)14(8(16)13-6)5-9(10,11)12/h4H,2-3,5H2,1H3,(H,13,16)
InChIKeyZRNSXWPDKLYWHA-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.05
Rot. Bonds3

About 6-propyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione

6-propyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione (PubChem CID 122239163) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 6-propyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-propyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
PubChem CID122239163
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name6-propyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
SMILESCCCc1cc(=O)n(CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C9H11F3N2O2/c1-2-3-6-4-7(15)14(8(16)13-6)5-9(10,11)12/h4H,2-3,5H2,1H3,(H,13,16)
InChIKeyZRNSXWPDKLYWHA-UHFFFAOYSA-N
XLogP1.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-propyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione (CID 122239163) is 6-propyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-propyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-propyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione is CCCc1cc(=O)n(CC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 6-propyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is ZRNSXWPDKLYWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-2-3-6-4-7(15)14(8(16)13-6)5-9(10,11)12/h4H,2-3,5H2,1H3,(H,13,16).
What are the key properties of 6-propyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
6-propyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 236.19 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122239163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).