2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one

C12H10Cl2N2O — CID 135418993

IUPAC2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C12H10Cl2N2O/c1-7-5-12(17)16-11(15-7)6-8-9(13)3-2-4-10(8)14/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyJOFAHXAITDFIIN-UHFFFAOYSA-N
MW269.13 g/mol
LogP2.98
Rot. Bonds2

About 2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one

2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135418993) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135418993
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C12H10Cl2N2O/c1-7-5-12(17)16-11(15-7)6-8-9(13)3-2-4-10(8)14/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyJOFAHXAITDFIIN-UHFFFAOYSA-N
XLogP2.98
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 135473089
2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63612279
4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole
CID 141255860
2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole
CID 141255877
2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135693146
5-bromo-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 66287562
2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
CID 135764107
2-[(2E)-2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136733342
4-(aminomethyl)-2-[(2-chlorophenyl)methyl]-1H-pyrimidin-6-one
CID 135978376
2-(2-isoquinolin-5-ylethyl)-4-methyl-1H-pyrimidin-6-one
CID 136596865
2-[[2-chloro-6-[1-(diethylamino)ethenyl]phenyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136618585
2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135421727

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one (CID 135418993) is 2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Cc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is JOFAHXAITDFIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-7-5-12(17)16-11(15-7)6-8-9(13)3-2-4-10(8)14/h2-5H,6H2,1H3,(H,15,16,17).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 269.13 g/mol, XLogP of 2.98, 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]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135418993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).