5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione

C6H7F2N3O2 — CID 63799206

IUPAC5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione
SMILESNc1cn(CC(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C6H7F2N3O2/c7-4(8)2-11-1-3(9)5(12)10-6(11)13/h1,4H,2,9H2,(H,10,12,13)
InChIKeyTWFIYYIJVHAXBD-UHFFFAOYSA-N
MW191.14 g/mol
LogP-0.62
Rot. Bonds2

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

5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione (PubChem CID 63799206) has the molecular formula C6H7F2N3O2 and a molecular weight of 191.14 g/mol. Its IUPAC name is 5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione
PubChem CID63799206
Molecular FormulaC6H7F2N3O2
Molecular Weight191.14 g/mol
Exact Mass191.05
IUPAC Name5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione
SMILESNc1cn(CC(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C6H7F2N3O2/c7-4(8)2-11-1-3(9)5(12)10-6(11)13/h1,4H,2,9H2,(H,10,12,13)
InChIKeyTWFIYYIJVHAXBD-UHFFFAOYSA-N
XLogP-0.62
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione (CID 63799206) is 5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione is Nc1cn(CC(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione?
The InChIKey is TWFIYYIJVHAXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O2/c7-4(8)2-11-1-3(9)5(12)10-6(11)13/h1,4H,2,9H2,(H,10,12,13).
What are the key properties of 5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione?
5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione has a molecular weight of 191.14 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63799206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).