4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one

C15H18N2O — CID 136692473

IUPAC4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cccc(C)c2C)c(C)c(=O)[nH]1
InChIInChI=1S/C15H18N2O/c1-5-13-16-14(11(4)15(18)17-13)12-8-6-7-9(2)10(12)3/h6-8H,5H2,1-4H3,(H,16,17,18)
InChIKeyRSGANUZSDRVAQQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.92
Rot. Bonds2

About 4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one

4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one (PubChem CID 136692473) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
PubChem CID136692473
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cccc(C)c2C)c(C)c(=O)[nH]1
InChIInChI=1S/C15H18N2O/c1-5-13-16-14(11(4)15(18)17-13)12-8-6-7-9(2)10(12)3/h6-8H,5H2,1-4H3,(H,16,17,18)
InChIKeyRSGANUZSDRVAQQ-UHFFFAOYSA-N
XLogP2.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromo-2-fluorophenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136980800
2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one
CID 136770406
2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one
CID 136770105
4-(3-chlorophenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136692221
4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136691708
2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136769785
2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
CID 136769566
4-chloro-6-(2,3-dimethylphenyl)-2-ethyl-5-methylpyrimidine
CID 80975385
2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one
CID 136691790
2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764378
5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one
CID 136955760
4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane
CID 158824343

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one (CID 136692473) is 4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one is CCc1nc(-c2cccc(C)c2C)c(C)c(=O)[nH]1.
What is the InChIKey of 4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one?
The InChIKey is RSGANUZSDRVAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-5-13-16-14(11(4)15(18)17-13)12-8-6-7-9(2)10(12)3/h6-8H,5H2,1-4H3,(H,16,17,18).
What are the key properties of 4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one?
4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one has a molecular weight of 242.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).