3-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-2,4-dione

C11H8F2N2O2 — CID 67033473

IUPAC3-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCc1ccc(F)c(-n2c(=O)cc[nH]c2=O)c1F
InChIInChI=1S/C11H8F2N2O2/c1-6-2-3-7(12)10(9(6)13)15-8(16)4-5-14-11(15)17/h2-5H,1H3,(H,14,17)
InChIKeyOGDGJSLHRINZAW-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.11
Rot. Bonds1

About 3-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-2,4-dione

3-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 67033473) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is 3-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID67033473
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name3-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCc1ccc(F)c(-n2c(=O)cc[nH]c2=O)c1F
InChIInChI=1S/C11H8F2N2O2/c1-6-2-3-7(12)10(9(6)13)15-8(16)4-5-14-11(15)17/h2-5H,1H3,(H,14,17)
InChIKeyOGDGJSLHRINZAW-UHFFFAOYSA-N
XLogP1.11
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-2,4-dione (CID 67033473) is 3-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-2,4-dione is Cc1ccc(F)c(-n2c(=O)cc[nH]c2=O)c1F.
What is the InChIKey of 3-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is OGDGJSLHRINZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c1-6-2-3-7(12)10(9(6)13)15-8(16)4-5-14-11(15)17/h2-5H,1H3,(H,14,17).
What are the key properties of 3-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-2,4-dione?
3-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 238.19 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67033473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).