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

C14H12N2OS — CID 901616

IUPAC2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccccc1-n1c(C)nc2sccc2c1=O
InChIInChI=1S/C14H12N2OS/c1-9-5-3-4-6-12(9)16-10(2)15-13-11(14(16)17)7-8-18-13/h3-8H,1-2H3
InChIKeyXCUIYHBFTTXBND-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.06
Rot. Bonds1

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

2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 901616) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID901616
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccccc1-n1c(C)nc2sccc2c1=O
InChIInChI=1S/C14H12N2OS/c1-9-5-3-4-6-12(9)16-10(2)15-13-11(14(16)17)7-8-18-13/h3-8H,1-2H3
InChIKeyXCUIYHBFTTXBND-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one (CID 901616) is 2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one is Cc1ccccc1-n1c(C)nc2sccc2c1=O.
What is the InChIKey of 2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is XCUIYHBFTTXBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-5-3-4-6-12(9)16-10(2)15-13-11(14(16)17)7-8-18-13/h3-8H,1-2H3.
What are the key properties of 2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 256.33 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 901616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).