5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one

C13H13ClN2O — CID 135475132

IUPAC5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(Cc2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C13H13ClN2O/c1-8-11(13(17)16-9(2)15-8)7-10-5-3-4-6-12(10)14/h3-6H,7H2,1-2H3,(H,15,16,17)
InChIKeyHDVIFJKCLMTOTG-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.63
Rot. Bonds2

About 5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 135475132) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID135475132
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(Cc2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C13H13ClN2O/c1-8-11(13(17)16-9(2)15-8)7-10-5-3-4-6-12(10)14/h3-6H,7H2,1-2H3,(H,15,16,17)
InChIKeyHDVIFJKCLMTOTG-UHFFFAOYSA-N
XLogP2.63
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135617941
5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135727198
5-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135762505
2-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135561969
5-[[3-(3-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 139019255
N-(4-acetylphenyl)-2-[[5-[(2-chlorophenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135413713
4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole
CID 121012476
4-[(2-chlorophenyl)methyl]-2-methyl-1H-benzimidazole
CID 140992503
4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid
CID 142395274
3-[(2-chlorophenyl)methyl]-2-methyl-1H-pyridin-4-one
CID 71429034
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 135956419
5-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 137047146

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 135475132) is 5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(Cc2ccccc2Cl)c(=O)[nH]1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is HDVIFJKCLMTOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-8-11(13(17)16-9(2)15-8)7-10-5-3-4-6-12(10)14/h3-6H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 248.71 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135475132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).