6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

C14H12N2OS — CID 1186407

IUPAC6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2c(C)sc3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C14H12N2OS/c1-8-3-5-10(6-4-8)11-9(2)18-14-12(11)13(17)15-7-16-14/h3-7H,1-2H3,(H,15,16,17)
InChIKeyLGVFNVZWIPAFJE-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.27
Rot. Bonds1

About 6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 1186407) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID1186407
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2c(C)sc3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C14H12N2OS/c1-8-3-5-10(6-4-8)11-9(2)18-14-12(11)13(17)15-7-16-14/h3-7H,1-2H3,(H,15,16,17)
InChIKeyLGVFNVZWIPAFJE-UHFFFAOYSA-N
XLogP3.27
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 1186407) is 6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2c(C)sc3nc[nH]c(=O)c23)cc1.
What is the InChIKey of 6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is LGVFNVZWIPAFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-8-3-5-10(6-4-8)11-9(2)18-14-12(11)13(17)15-7-16-14/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of 6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 256.33 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 1186407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).