3-(2,2-difluoroethyl)-6-methyl-1H-pyrimidine-2,4-dione

C7H8F2N2O2 — CID 144763352

IUPAC3-(2,2-difluoroethyl)-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(CC(F)F)c(=O)[nH]1
InChIInChI=1S/C7H8F2N2O2/c1-4-2-6(12)11(3-5(8)9)7(13)10-4/h2,5H,3H2,1H3,(H,10,13)
InChIKeyNFDDRNLYKURLNK-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.11
Rot. Bonds2

About 3-(2,2-difluoroethyl)-6-methyl-1H-pyrimidine-2,4-dione

3-(2,2-difluoroethyl)-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 144763352) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID144763352
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name3-(2,2-difluoroethyl)-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(CC(F)F)c(=O)[nH]1
InChIInChI=1S/C7H8F2N2O2/c1-4-2-6(12)11(3-5(8)9)7(13)10-4/h2,5H,3H2,1H3,(H,10,13)
InChIKeyNFDDRNLYKURLNK-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(2,2-difluoroethyl)-6-methyl-1H-pyrimidine-2,4-dione (CID 144763352) is 3-(2,2-difluoroethyl)-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2,2-difluoroethyl)-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(2,2-difluoroethyl)-6-methyl-1H-pyrimidine-2,4-dione is Cc1cc(=O)n(CC(F)F)c(=O)[nH]1.
What is the InChIKey of 3-(2,2-difluoroethyl)-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is NFDDRNLYKURLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-4-2-6(12)11(3-5(8)9)7(13)10-4/h2,5H,3H2,1H3,(H,10,13).
What are the key properties of 3-(2,2-difluoroethyl)-6-methyl-1H-pyrimidine-2,4-dione?
3-(2,2-difluoroethyl)-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 190.15 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 144763352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).