6-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

C7H6ClF3N2O2 — CID 121208390

IUPAC6-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCn1c(=O)cc(Cl)n(CC(F)(F)F)c1=O
InChIInChI=1S/C7H6ClF3N2O2/c1-12-5(14)2-4(8)13(6(12)15)3-7(9,10)11/h2H,3H2,1H3
InChIKeyZEGNONUWDYIDAM-UHFFFAOYSA-N
MW242.58 g/mol
LogP0.76
Rot. Bonds1

About 6-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

6-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 121208390) has the molecular formula C7H6ClF3N2O2 and a molecular weight of 242.58 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
PubChem CID121208390
Molecular FormulaC7H6ClF3N2O2
Molecular Weight242.58 g/mol
Exact Mass242.01
IUPAC Name6-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCn1c(=O)cc(Cl)n(CC(F)(F)F)c1=O
InChIInChI=1S/C7H6ClF3N2O2/c1-12-5(14)2-4(8)13(6(12)15)3-7(9,10)11/h2H,3H2,1H3
InChIKeyZEGNONUWDYIDAM-UHFFFAOYSA-N
XLogP0.76
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.58
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 121208390) is 6-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is Cn1c(=O)cc(Cl)n(CC(F)(F)F)c1=O.
What is the InChIKey of 6-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The InChIKey is ZEGNONUWDYIDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O2/c1-12-5(14)2-4(8)13(6(12)15)3-7(9,10)11/h2H,3H2,1H3.
What are the key properties of 6-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
6-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 242.58 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 121208390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).