5-amino-3-(2,2-difluoroethyl)-1-ethylpyrimidine-2,4-dione

C8H11F2N3O2 — CID 63799755

IUPAC5-amino-3-(2,2-difluoroethyl)-1-ethylpyrimidine-2,4-dione
SMILESCCn1cc(N)c(=O)n(CC(F)F)c1=O
InChIInChI=1S/C8H11F2N3O2/c1-2-12-3-5(11)7(14)13(8(12)15)4-6(9)10/h3,6H,2,4,11H2,1H3
InChIKeyPIYYOILUQAMOFC-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.12
Rot. Bonds3

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

5-amino-3-(2,2-difluoroethyl)-1-ethylpyrimidine-2,4-dione (PubChem CID 63799755) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 5-amino-3-(2,2-difluoroethyl)-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-(2,2-difluoroethyl)-1-ethylpyrimidine-2,4-dione
PubChem CID63799755
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name5-amino-3-(2,2-difluoroethyl)-1-ethylpyrimidine-2,4-dione
SMILESCCn1cc(N)c(=O)n(CC(F)F)c1=O
InChIInChI=1S/C8H11F2N3O2/c1-2-12-3-5(11)7(14)13(8(12)15)4-6(9)10/h3,6H,2,4,11H2,1H3
InChIKeyPIYYOILUQAMOFC-UHFFFAOYSA-N
XLogP-0.12
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2,2-difluoroethyl)-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-3-(2,2-difluoroethyl)-1-ethylpyrimidine-2,4-dione (CID 63799755) is 5-amino-3-(2,2-difluoroethyl)-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-3-(2,2-difluoroethyl)-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-3-(2,2-difluoroethyl)-1-ethylpyrimidine-2,4-dione is CCn1cc(N)c(=O)n(CC(F)F)c1=O.
What is the InChIKey of 5-amino-3-(2,2-difluoroethyl)-1-ethylpyrimidine-2,4-dione?
The InChIKey is PIYYOILUQAMOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-2-12-3-5(11)7(14)13(8(12)15)4-6(9)10/h3,6H,2,4,11H2,1H3.
What are the key properties of 5-amino-3-(2,2-difluoroethyl)-1-ethylpyrimidine-2,4-dione?
5-amino-3-(2,2-difluoroethyl)-1-ethylpyrimidine-2,4-dione has a molecular weight of 219.19 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2,2-difluoroethyl)-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 63799755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).