2-(2,6-dichlorophenyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one

C13H12Cl2N2O — CID 135996634

IUPAC2-(2,6-dichlorophenyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(-c2c(Cl)cccc2Cl)[nH]c1=O
InChIInChI=1S/C13H12Cl2N2O/c1-3-8-7(2)16-12(17-13(8)18)11-9(14)5-4-6-10(11)15/h4-6H,3H2,1-2H3,(H,16,17,18)
InChIKeyALRSOXITRNFDNV-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.61
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one

2-(2,6-dichlorophenyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135996634) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135996634
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name2-(2,6-dichlorophenyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(-c2c(Cl)cccc2Cl)[nH]c1=O
InChIInChI=1S/C13H12Cl2N2O/c1-3-8-7(2)16-12(17-13(8)18)11-9(14)5-4-6-10(11)15/h4-6H,3H2,1-2H3,(H,16,17,18)
InChIKeyALRSOXITRNFDNV-UHFFFAOYSA-N
XLogP3.61
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.61
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)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,6-dichlorophenyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one (CID 135996634) is 2-(2,6-dichlorophenyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,6-dichlorophenyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nc(-c2c(Cl)cccc2Cl)[nH]c1=O.
What is the InChIKey of 2-(2,6-dichlorophenyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ALRSOXITRNFDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-3-8-7(2)16-12(17-13(8)18)11-9(14)5-4-6-10(11)15/h4-6H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(2,6-dichlorophenyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
2-(2,6-dichlorophenyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 283.16 g/mol, XLogP of 3.61, 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)-5-ethyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135996634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).