1-(difluoromethyl)-5-ethylpyrimidine-2,4-dione

C7H8F2N2O2 — CID 66329938

IUPAC1-(difluoromethyl)-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(C(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C7H8F2N2O2/c1-2-4-3-11(6(8)9)7(13)10-5(4)12/h3,6H,2H2,1H3,(H,10,12,13)
InChIKeyROXHEBIMQSCOIQ-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.49
Rot. Bonds2

About 1-(difluoromethyl)-5-ethylpyrimidine-2,4-dione

1-(difluoromethyl)-5-ethylpyrimidine-2,4-dione (PubChem CID 66329938) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(difluoromethyl)-5-ethylpyrimidine-2,4-dione
PubChem CID66329938
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name1-(difluoromethyl)-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(C(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C7H8F2N2O2/c1-2-4-3-11(6(8)9)7(13)10-5(4)12/h3,6H,2H2,1H3,(H,10,12,13)
InChIKeyROXHEBIMQSCOIQ-UHFFFAOYSA-N
XLogP0.49
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-(difluoromethyl)-5-ethylpyrimidine-2,4-dione (CID 66329938) is 1-(difluoromethyl)-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(difluoromethyl)-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-(difluoromethyl)-5-ethylpyrimidine-2,4-dione is CCc1cn(C(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(difluoromethyl)-5-ethylpyrimidine-2,4-dione?
The InChIKey is ROXHEBIMQSCOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-2-4-3-11(6(8)9)7(13)10-5(4)12/h3,6H,2H2,1H3,(H,10,12,13).
What are the key properties of 1-(difluoromethyl)-5-ethylpyrimidine-2,4-dione?
1-(difluoromethyl)-5-ethylpyrimidine-2,4-dione has a molecular weight of 190.15 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 66329938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).