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

C19H19N5O2S — CID 137429479

IUPAC2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)cn1
InChIInChI=1S/C19H19N5O2S/c1-11(2)9-26-14-5-4-12(8-21-14)13-10-27-16-15(13)22-17(23-19(16)25)18-20-6-7-24(18)3/h4-8,10-11H,9H2,1-3H3,(H,22,23,25)
InChIKeyGIZJLBISLFOZMT-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.48
Rot. Bonds5

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

2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429479) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429479
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)cn1
InChIInChI=1S/C19H19N5O2S/c1-11(2)9-26-14-5-4-12(8-21-14)13-10-27-16-15(13)22-17(23-19(16)25)18-20-6-7-24(18)3/h4-8,10-11H,9H2,1-3H3,(H,22,23,25)
InChIKeyGIZJLBISLFOZMT-UHFFFAOYSA-N
XLogP3.48
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429479) is 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 2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is GIZJLBISLFOZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-11(2)9-26-14-5-4-12(8-21-14)13-10-27-16-15(13)22-17(23-19(16)25)18-20-6-7-24(18)3/h4-8,10-11H,9H2,1-3H3,(H,22,23,25).
What are the key properties of 2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 381.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).