2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one

C11H12N2OS — CID 136769320

IUPAC2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one
SMILESCc1nc(-c2csc(C)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C11H12N2OS/c1-6-4-9(5-15-6)10-7(2)11(14)13-8(3)12-10/h4-5H,1-3H3,(H,12,13,14)
InChIKeyOZLDTUIFUJRQIH-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.42
Rot. Bonds1

About 2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one

2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one (PubChem CID 136769320) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one
PubChem CID136769320
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one
SMILESCc1nc(-c2csc(C)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C11H12N2OS/c1-6-4-9(5-15-6)10-7(2)11(14)13-8(3)12-10/h4-5H,1-3H3,(H,12,13,14)
InChIKeyOZLDTUIFUJRQIH-UHFFFAOYSA-N
XLogP2.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 135549350
4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955503
4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136692266
3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one
CID 106518527
2,5-dimethyl-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 136770430
2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one
CID 136955548
4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955442
5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile
CID 136769726
4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136770360
2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one
CID 136691790
3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one
CID 106518542
6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one
CID 106518555

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one (CID 136769320) is 2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one is Cc1nc(-c2csc(C)c2)c(C)c(=O)[nH]1.
What is the InChIKey of 2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one?
The InChIKey is OZLDTUIFUJRQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-6-4-9(5-15-6)10-7(2)11(14)13-8(3)12-10/h4-5H,1-3H3,(H,12,13,14).
What are the key properties of 2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one?
2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one has a molecular weight of 220.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136769320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).