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

C8H8F2N2O3 — CID 103513568

IUPAC5-(2,2-difluoroacetyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C(=O)C(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C8H8F2N2O3/c1-11-3-4(5(13)6(9)10)7(14)12(2)8(11)15/h3,6H,1-2H3
InChIKeyNZRVQRLAUCCMFK-UHFFFAOYSA-N
MW218.16 g/mol
LogP-0.47
Rot. Bonds2

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

5-(2,2-difluoroacetyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 103513568) has the molecular formula C8H8F2N2O3 and a molecular weight of 218.16 g/mol. Its IUPAC name is 5-(2,2-difluoroacetyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,2-difluoroacetyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID103513568
Molecular FormulaC8H8F2N2O3
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Name5-(2,2-difluoroacetyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C(=O)C(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C8H8F2N2O3/c1-11-3-4(5(13)6(9)10)7(14)12(2)8(11)15/h3,6H,1-2H3
InChIKeyNZRVQRLAUCCMFK-UHFFFAOYSA-N
XLogP-0.47
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroacetyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(2,2-difluoroacetyl)-1,3-dimethylpyrimidine-2,4-dione (CID 103513568) is 5-(2,2-difluoroacetyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,2-difluoroacetyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2,2-difluoroacetyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(C(=O)C(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 5-(2,2-difluoroacetyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is NZRVQRLAUCCMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3/c1-11-3-4(5(13)6(9)10)7(14)12(2)8(11)15/h3,6H,1-2H3.
What are the key properties of 5-(2,2-difluoroacetyl)-1,3-dimethylpyrimidine-2,4-dione?
5-(2,2-difluoroacetyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 218.16 g/mol, XLogP of -0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroacetyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 103513568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).