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

C9H8N2OS — CID 106522710

IUPAC5-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
SMILESCc1sccc1-c1cnc[nH]c1=O
InChIInChI=1S/C9H8N2OS/c1-6-7(2-3-13-6)8-4-10-5-11-9(8)12/h2-5H,1H3,(H,10,11,12)
InChIKeyQGRJFXUHNLFBAR-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.81
Rot. Bonds1

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

5-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one (PubChem CID 106522710) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 5-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
PubChem CID106522710
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name5-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
SMILESCc1sccc1-c1cnc[nH]c1=O
InChIInChI=1S/C9H8N2OS/c1-6-7(2-3-13-6)8-4-10-5-11-9(8)12/h2-5H,1H3,(H,10,11,12)
InChIKeyQGRJFXUHNLFBAR-UHFFFAOYSA-N
XLogP1.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one
CID 103695282
5-(4-bromophenyl)-1H-pyrimidin-6-one
CID 106517913
2,5-dimethyl-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 136770430
ethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate
CID 122358525
5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one
CID 122358564
5-(2-methylthiophen-3-yl)pyridine-3-carboxylic acid
CID 53445769
5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
CID 106787601
5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 103695300
5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrimidin-6-one
CID 122358570
5-(3-acetylphenyl)-1H-pyrimidin-6-one
CID 122200465
5-(3-chlorothiophen-2-yl)-1H-pyrimidine-6-thione
CID 107362504
(4E)-4-(1H-imidazol-5-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one
CID 18626994

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one (CID 106522710) is 5-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one is Cc1sccc1-c1cnc[nH]c1=O.
What is the InChIKey of 5-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one?
The InChIKey is QGRJFXUHNLFBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6-7(2-3-13-6)8-4-10-5-11-9(8)12/h2-5H,1H3,(H,10,11,12).
What are the key properties of 5-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one?
5-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one has a molecular weight of 192.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 106522710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).