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

C9H9F3N2O2 — CID 122239165

IUPAC6-cyclopropyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C2CC2)[nH]c(=O)n1CC(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)4-14-7(15)3-6(5-1-2-5)13-8(14)16/h3,5H,1-2,4H2,(H,13,16)
InChIKeyJWBHGZLGFDAPEW-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.98
Rot. Bonds2

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

6-cyclopropyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione (PubChem CID 122239165) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 6-cyclopropyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-cyclopropyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
PubChem CID122239165
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name6-cyclopropyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C2CC2)[nH]c(=O)n1CC(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)4-14-7(15)3-6(5-1-2-5)13-8(14)16/h3,5H,1-2,4H2,(H,13,16)
InChIKeyJWBHGZLGFDAPEW-UHFFFAOYSA-N
XLogP0.98
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-cyclopropyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-cyclopropyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione (CID 122239165) is 6-cyclopropyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-cyclopropyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-cyclopropyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione is O=c1cc(C2CC2)[nH]c(=O)n1CC(F)(F)F.
What is the InChIKey of 6-cyclopropyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is JWBHGZLGFDAPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)4-14-7(15)3-6(5-1-2-5)13-8(14)16/h3,5H,1-2,4H2,(H,13,16).
What are the key properties of 6-cyclopropyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
6-cyclopropyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 234.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122239165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).