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

C7H7F3N2O2 — CID 60734977

IUPAC1-methyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCn1ccc(=O)n(CC(F)(F)F)c1=O
InChIInChI=1S/C7H7F3N2O2/c1-11-3-2-5(13)12(6(11)14)4-7(8,9)10/h2-3H,4H2,1H3
InChIKeyUFABSCQKGUUAKZ-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.11
Rot. Bonds1

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

1-methyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 60734977) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 1-methyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
PubChem CID60734977
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name1-methyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCn1ccc(=O)n(CC(F)(F)F)c1=O
InChIInChI=1S/C7H7F3N2O2/c1-11-3-2-5(13)12(6(11)14)4-7(8,9)10/h2-3H,4H2,1H3
InChIKeyUFABSCQKGUUAKZ-UHFFFAOYSA-N
XLogP0.11
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 60734977) is 1-methyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is Cn1ccc(=O)n(CC(F)(F)F)c1=O.
What is the InChIKey of 1-methyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The InChIKey is UFABSCQKGUUAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-11-3-2-5(13)12(6(11)14)4-7(8,9)10/h2-3H,4H2,1H3.
What are the key properties of 1-methyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
1-methyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 208.14 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 60734977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).