2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one

C11H7Cl2FN2O — CID 3072549

IUPAC2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cc2c(Cl)cccc2Cl)ncc1F
InChIInChI=1S/C11H7Cl2FN2O/c12-7-2-1-3-8(13)6(7)4-10-15-5-9(14)11(17)16-10/h1-3,5H,4H2,(H,15,16,17)
InChIKeyGVEXQWHKWBKDCD-UHFFFAOYSA-N
MW273.09 g/mol
LogP2.81
Rot. Bonds2

About 2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one

2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one (PubChem CID 3072549) has the molecular formula C11H7Cl2FN2O and a molecular weight of 273.09 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one
PubChem CID3072549
Molecular FormulaC11H7Cl2FN2O
Molecular Weight273.09 g/mol
Exact Mass271.99
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cc2c(Cl)cccc2Cl)ncc1F
InChIInChI=1S/C11H7Cl2FN2O/c12-7-2-1-3-8(13)6(7)4-10-15-5-9(14)11(17)16-10/h1-3,5H,4H2,(H,15,16,17)
InChIKeyGVEXQWHKWBKDCD-UHFFFAOYSA-N
XLogP2.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one (CID 3072549) is 2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one is O=c1[nH]c(Cc2c(Cl)cccc2Cl)ncc1F.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is GVEXQWHKWBKDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O/c12-7-2-1-3-8(13)6(7)4-10-15-5-9(14)11(17)16-10/h1-3,5H,4H2,(H,15,16,17).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one?
2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 273.09 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 3072549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).