4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one

C16H14N2OS — CID 139229492

IUPAC4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one
SMILESCc1ccc(-c2cc(-c3cccs3)[nH]c(=O)n2)cc1C
InChIInChI=1S/C16H14N2OS/c1-10-5-6-12(8-11(10)2)13-9-14(18-16(19)17-13)15-4-3-7-20-15/h3-9H,1-2H3,(H,17,18,19)
InChIKeyRELMUPFAOAIQCU-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.78
Rot. Bonds2

About 4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one

4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one (PubChem CID 139229492) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one
PubChem CID139229492
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one
SMILESCc1ccc(-c2cc(-c3cccs3)[nH]c(=O)n2)cc1C
InChIInChI=1S/C16H14N2OS/c1-10-5-6-12(8-11(10)2)13-9-14(18-16(19)17-13)15-4-3-7-20-15/h3-9H,1-2H3,(H,17,18,19)
InChIKeyRELMUPFAOAIQCU-UHFFFAOYSA-N
XLogP3.78
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 62732820
ethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one
CID 136595487
5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one
CID 142730761
3-methyl-2,5-dithiophen-2-yl-1H-pyrrole
CID 53445362
3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole
CID 122400627
N-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110331977
3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole
CID 18175413
4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894741
6-(2,3-dichlorophenyl)-4-(4-hydroxy-3-methylphenyl)-1H-pyrimidin-2-one
CID 135589888
4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one
CID 137099069
4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one
CID 121206455
4-fluoro-7-methyl-2-thiophen-2-yl-1H-indole
CID 131887170

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one?
The IUPAC name of 4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one (CID 139229492) is 4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one is Cc1ccc(-c2cc(-c3cccs3)[nH]c(=O)n2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one?
The InChIKey is RELMUPFAOAIQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-10-5-6-12(8-11(10)2)13-9-14(18-16(19)17-13)15-4-3-7-20-15/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one?
4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one has a molecular weight of 282.37 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 139229492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).