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

C20H21N5O2S — CID 137429371

IUPAC6-methyl-2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1sc2c(=O)[nH]c(-c3nccn3C)nc2c1-c1ccc(OCC(C)C)nc1
InChIInChI=1S/C20H21N5O2S/c1-11(2)10-27-14-6-5-13(9-22-14)15-12(3)28-17-16(15)23-18(24-20(17)26)19-21-7-8-25(19)4/h5-9,11H,10H2,1-4H3,(H,23,24,26)
InChIKeySGQIZLATQKQJOU-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.79
Rot. Bonds5

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

6-methyl-2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429371) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 6-methyl-2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429371
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name6-methyl-2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1sc2c(=O)[nH]c(-c3nccn3C)nc2c1-c1ccc(OCC(C)C)nc1
InChIInChI=1S/C20H21N5O2S/c1-11(2)10-27-14-6-5-13(9-22-14)15-12(3)28-17-16(15)23-18(24-20(17)26)19-21-7-8-25(19)4/h5-9,11H,10H2,1-4H3,(H,23,24,26)
InChIKeySGQIZLATQKQJOU-UHFFFAOYSA-N
XLogP3.79
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429371) is 6-methyl-2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one is Cc1sc2c(=O)[nH]c(-c3nccn3C)nc2c1-c1ccc(OCC(C)C)nc1.
What is the InChIKey of 6-methyl-2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is SGQIZLATQKQJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-11(2)10-27-14-6-5-13(9-22-14)15-12(3)28-17-16(15)23-18(24-20(17)26)19-21-7-8-25(19)4/h5-9,11H,10H2,1-4H3,(H,23,24,26).
What are the key properties of 6-methyl-2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one?
6-methyl-2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 395.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).