5-(1,1-difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione

C8H10F2N2O2 — CID 118332950

IUPAC5-(1,1-difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C(C)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C8H10F2N2O2/c1-8(9,10)5-4-11(2)7(14)12(3)6(5)13/h4H,1-3H3
InChIKeyUGNCRESLQRJTBZ-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.20
Rot. Bonds1

About 5-(1,1-difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione

5-(1,1-difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 118332950) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID118332950
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name5-(1,1-difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C(C)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C8H10F2N2O2/c1-8(9,10)5-4-11(2)7(14)12(3)6(5)13/h4H,1-3H3
InChIKeyUGNCRESLQRJTBZ-UHFFFAOYSA-N
XLogP0.20
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1,1-difluoroethyl)-1,3-dimethylpyrimidine-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 5-(1,1-difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(1,1-difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione (CID 118332950) is 5-(1,1-difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(1,1-difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(1,1-difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(C(C)(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 5-(1,1-difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is UGNCRESLQRJTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-8(9,10)5-4-11(2)7(14)12(3)6(5)13/h4H,1-3H3.
What are the key properties of 5-(1,1-difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione?
5-(1,1-difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 204.18 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 118332950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).