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

C9H11F3N2O2 — CID 63810453

IUPAC1-propyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CC(F)(F)F)c1=O
InChIInChI=1S/C9H11F3N2O2/c1-2-4-13-5-3-7(15)14(8(13)16)6-9(10,11)12/h3,5H,2,4,6H2,1H3
InChIKeyUWLJBBIMQVZJDT-UHFFFAOYSA-N
MW236.19 g/mol
LogP0.98
Rot. Bonds3

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

1-propyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 63810453) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 1-propyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-propyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
PubChem CID63810453
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name1-propyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CC(F)(F)F)c1=O
InChIInChI=1S/C9H11F3N2O2/c1-2-4-13-5-3-7(15)14(8(13)16)6-9(10,11)12/h3,5H,2,4,6H2,1H3
InChIKeyUWLJBBIMQVZJDT-UHFFFAOYSA-N
XLogP0.98
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-propyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 63810453) is 1-propyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-propyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-propyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is CCCn1ccc(=O)n(CC(F)(F)F)c1=O.
What is the InChIKey of 1-propyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The InChIKey is UWLJBBIMQVZJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-2-4-13-5-3-7(15)14(8(13)16)6-9(10,11)12/h3,5H,2,4,6H2,1H3.
What are the key properties of 1-propyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
1-propyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 236.19 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63810453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).