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

C11H12N2OS — CID 136770430

IUPAC2,5-dimethyl-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccsc2C)c(C)c(=O)[nH]1
InChIInChI=1S/C11H12N2OS/c1-6-10(9-4-5-15-7(9)2)12-8(3)13-11(6)14/h4-5H,1-3H3,(H,12,13,14)
InChIKeyUJVNGAXBVVMJQX-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.42
Rot. Bonds1

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

2,5-dimethyl-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one (PubChem CID 136770430) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2,5-dimethyl-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-dimethyl-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
PubChem CID136770430
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2,5-dimethyl-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccsc2C)c(C)c(=O)[nH]1
InChIInChI=1S/C11H12N2OS/c1-6-10(9-4-5-15-7(9)2)12-8(3)13-11(6)14/h4-5H,1-3H3,(H,12,13,14)
InChIKeyUJVNGAXBVVMJQX-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

5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one
CID 136955760
2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one
CID 136691790
2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 136769320
4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 135549350
4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136769843
4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955503
2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one
CID 136955548
5-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 106522710
4-(3-bromo-2,6-difluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136965576
N,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine
CID 102838545
4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955442
4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136770360

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2,5-dimethyl-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one (CID 136770430) is 2,5-dimethyl-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-dimethyl-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-dimethyl-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one is Cc1nc(-c2ccsc2C)c(C)c(=O)[nH]1.
What is the InChIKey of 2,5-dimethyl-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one?
The InChIKey is UJVNGAXBVVMJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-6-10(9-4-5-15-7(9)2)12-8(3)13-11(6)14/h4-5H,1-3H3,(H,12,13,14).
What are the key properties of 2,5-dimethyl-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one?
2,5-dimethyl-4-(2-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-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136770430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).