2-(4-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one

C13H10N2OS — CID 135439669

IUPAC2-(4-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1
InChIInChI=1S/C13H10N2OS/c1-8-2-4-9(5-3-8)12-14-10-6-7-17-11(10)13(16)15-12/h2-7H,1H3,(H,14,15,16)
InChIKeyWMMVFPDZGPLXSU-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.96
Rot. Bonds1

About 2-(4-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one

2-(4-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135439669) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135439669
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-(4-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1
InChIInChI=1S/C13H10N2OS/c1-8-2-4-9(5-3-8)12-14-10-6-7-17-11(10)13(16)15-12/h2-7H,1H3,(H,14,15,16)
InChIKeyWMMVFPDZGPLXSU-UHFFFAOYSA-N
XLogP2.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Thienyl)-4(3H)-quinazolinone
CID 135415499
3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 793586
4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
CID 2810153
2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 901616
2-(Benzylsulfanyl)thieno[3,2-d]pyrimidin-4-ol
CID 135439659
2-methyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 901672
N-(4-methylbenzyl)-1-(4-oxo-4H-thieno[3,2-d][1,3]thiazin-2-yl)piperidine-3-carboxamide
CID 16194015
5,6-dimethyl-2-[4-(trifluoromethyl)phenyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 71747650
2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 135525693
2-(4-methylphenyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
CID 137169064
2-[4-(4-benzylpiperazin-1-yl)butyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 155538877
2-[4-(4-benzylpiperidin-1-yl)butyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 155556806

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(4-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 135439669) is 2-(4-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one is Cc1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is WMMVFPDZGPLXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-8-2-4-9(5-3-8)12-14-10-6-7-17-11(10)13(16)15-12/h2-7H,1H3,(H,14,15,16).
What are the key properties of 2-(4-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
2-(4-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 242.30 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135439669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).