4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one

C11H8F2N2O — CID 136769233

IUPAC4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cccc(F)c2F)cc(=O)[nH]1
InChIInChI=1S/C11H8F2N2O/c1-6-14-9(5-10(16)15-6)7-3-2-4-8(12)11(7)13/h2-5H,1H3,(H,14,15,16)
InChIKeyBBVQMMBYBCXPIO-UHFFFAOYSA-N
MW222.19 g/mol
LogP2.02
Rot. Bonds1

About 4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one

4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136769233) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136769233
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cccc(F)c2F)cc(=O)[nH]1
InChIInChI=1S/C11H8F2N2O/c1-6-14-9(5-10(16)15-6)7-3-2-4-8(12)11(7)13/h2-5H,1H3,(H,14,15,16)
InChIKeyBBVQMMBYBCXPIO-UHFFFAOYSA-N
XLogP2.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one (CID 136769233) is 4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(-c2cccc(F)c2F)cc(=O)[nH]1.
What is the InChIKey of 4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is BBVQMMBYBCXPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c1-6-14-9(5-10(16)15-6)7-3-2-4-8(12)11(7)13/h2-5H,1H3,(H,14,15,16).
What are the key properties of 4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one?
4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 222.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136769233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).