4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one

C13H12F2N2O — CID 136986671

IUPAC4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccc(C)c(F)c2F)cc(=O)[nH]1
InChIInChI=1S/C13H12F2N2O/c1-3-10-16-9(6-11(18)17-10)8-5-4-7(2)12(14)13(8)15/h4-6H,3H2,1-2H3,(H,16,17,18)
InChIKeyFRMNEBMOXBYJNC-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.59
Rot. Bonds2

About 4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one

4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136986671) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one
PubChem CID136986671
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccc(C)c(F)c2F)cc(=O)[nH]1
InChIInChI=1S/C13H12F2N2O/c1-3-10-16-9(6-11(18)17-10)8-5-4-7(2)12(14)13(8)15/h4-6H,3H2,1-2H3,(H,16,17,18)
InChIKeyFRMNEBMOXBYJNC-UHFFFAOYSA-N
XLogP2.59
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one (CID 136986671) is 4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(-c2ccc(C)c(F)c2F)cc(=O)[nH]1.
What is the InChIKey of 4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is FRMNEBMOXBYJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-3-10-16-9(6-11(18)17-10)8-5-4-7(2)12(14)13(8)15/h4-6H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one?
4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 250.25 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136986671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).