3-methyl-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one

C14H12N2OS — CID 53009959

IUPAC3-methyl-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccccc1-c1csc2c(=O)n(C)cnc12
InChIInChI=1S/C14H12N2OS/c1-9-5-3-4-6-10(9)11-7-18-13-12(11)15-8-16(2)14(13)17/h3-8H,1-2H3
InChIKeyYPDKIIAHXFWUCL-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.97
Rot. Bonds1

About 3-methyl-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one

3-methyl-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 53009959) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-methyl-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID53009959
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name3-methyl-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccccc1-c1csc2c(=O)n(C)cnc12
InChIInChI=1S/C14H12N2OS/c1-9-5-3-4-6-10(9)11-7-18-13-12(11)15-8-16(2)14(13)17/h3-8H,1-2H3
InChIKeyYPDKIIAHXFWUCL-UHFFFAOYSA-N
XLogP2.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one (CID 53009959) is 3-methyl-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one is Cc1ccccc1-c1csc2c(=O)n(C)cnc12.
What is the InChIKey of 3-methyl-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is YPDKIIAHXFWUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-5-3-4-6-10(9)11-7-18-13-12(11)15-8-16(2)14(13)17/h3-8H,1-2H3.
What are the key properties of 3-methyl-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one?
3-methyl-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 256.33 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 53009959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).