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

C8H10F2N2O2 — CID 155177367

IUPAC1-(2,2-difluoroethyl)-3,5-dimethylpyrimidine-2,4-dione
SMILESCc1cn(CC(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C8H10F2N2O2/c1-5-3-12(4-6(9)10)8(14)11(2)7(5)13/h3,6H,4H2,1-2H3
InChIKeyWCKGUAVMMKHQBL-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.12
Rot. Bonds2

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

1-(2,2-difluoroethyl)-3,5-dimethylpyrimidine-2,4-dione (PubChem CID 155177367) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3,5-dimethylpyrimidine-2,4-dione
PubChem CID155177367
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name1-(2,2-difluoroethyl)-3,5-dimethylpyrimidine-2,4-dione
SMILESCc1cn(CC(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C8H10F2N2O2/c1-5-3-12(4-6(9)10)8(14)11(2)7(5)13/h3,6H,4H2,1-2H3
InChIKeyWCKGUAVMMKHQBL-UHFFFAOYSA-N
XLogP0.12
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-(2,2-difluoroethyl)-3,5-dimethylpyrimidine-2,4-dione (CID 155177367) is 1-(2,2-difluoroethyl)-3,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2,2-difluoroethyl)-3,5-dimethylpyrimidine-2,4-dione is Cc1cn(CC(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 1-(2,2-difluoroethyl)-3,5-dimethylpyrimidine-2,4-dione?
The InChIKey is WCKGUAVMMKHQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-5-3-12(4-6(9)10)8(14)11(2)7(5)13/h3,6H,4H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3,5-dimethylpyrimidine-2,4-dione?
1-(2,2-difluoroethyl)-3,5-dimethylpyrimidine-2,4-dione has a molecular weight of 204.18 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 155177367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).