7-(6-methoxy-3-pyridinyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one

C17H15N5O2S — CID 137429372

IUPAC7-(6-methoxy-3-pyridinyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2c(C)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1
InChIInChI=1S/C17H15N5O2S/c1-9-12(10-4-5-11(24-3)19-8-10)13-14(25-9)17(23)21-15(20-13)16-18-6-7-22(16)2/h4-8H,1-3H3,(H,20,21,23)
InChIKeyQIZLROMVGQFHHW-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.76
Rot. Bonds3

About 7-(6-methoxy-3-pyridinyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one

7-(6-methoxy-3-pyridinyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429372) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(6-methoxy-3-pyridinyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429372
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name7-(6-methoxy-3-pyridinyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2c(C)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1
InChIInChI=1S/C17H15N5O2S/c1-9-12(10-4-5-11(24-3)19-8-10)13-14(25-9)17(23)21-15(20-13)16-18-6-7-22(16)2/h4-8H,1-3H3,(H,20,21,23)
InChIKeyQIZLROMVGQFHHW-UHFFFAOYSA-N
XLogP2.76
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(6-methoxy-3-pyridinyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-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 7-(6-methoxy-3-pyridinyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429372) is 7-(6-methoxy-3-pyridinyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one is COc1ccc(-c2c(C)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is QIZLROMVGQFHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-9-12(10-4-5-11(24-3)19-8-10)13-14(25-9)17(23)21-15(20-13)16-18-6-7-22(16)2/h4-8H,1-3H3,(H,20,21,23).
What are the key properties of 7-(6-methoxy-3-pyridinyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
7-(6-methoxy-3-pyridinyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 353.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-3-pyridinyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).