6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione

C7H8F2N2O2 — CID 129278642

IUPAC6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(C(C)(F)F)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8F2N2O2/c1-3-4(7(2,8)9)10-6(13)11-5(3)12/h1-2H3,(H2,10,11,12,13)
InChIKeyOLEBBHXBHVWKTG-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.48
Rot. Bonds1

About 6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione

6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 129278642) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID129278642
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(C(C)(F)F)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8F2N2O2/c1-3-4(7(2,8)9)10-6(13)11-5(3)12/h1-2H3,(H2,10,11,12,13)
InChIKeyOLEBBHXBHVWKTG-UHFFFAOYSA-N
XLogP0.48
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione (CID 129278642) is 6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione is Cc1c(C(C)(F)F)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is OLEBBHXBHVWKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-3-4(7(2,8)9)10-6(13)11-5(3)12/h1-2H3,(H2,10,11,12,13).
What are the key properties of 6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione?
6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 190.15 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 129278642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).