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

C20H18N4O2S — CID 137429456

IUPAC7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cn1
InChIInChI=1S/C20H18N4O2S/c1-12(2)10-26-16-7-6-13(9-22-16)14-11-27-18-17(14)23-19(24-20(18)25)15-5-3-4-8-21-15/h3-9,11-12H,10H2,1-2H3,(H,23,24,25)
InChIKeyIQIRWPPBSFCECL-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.14
Rot. Bonds5

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

7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429456) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429456
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cn1
InChIInChI=1S/C20H18N4O2S/c1-12(2)10-26-16-7-6-13(9-22-16)14-11-27-18-17(14)23-19(24-20(18)25)15-5-3-4-8-21-15/h3-9,11-12H,10H2,1-2H3,(H,23,24,25)
InChIKeyIQIRWPPBSFCECL-UHFFFAOYSA-N
XLogP4.14
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429456) is 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cn1.
What is the InChIKey of 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is IQIRWPPBSFCECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-12(2)10-26-16-7-6-13(9-22-16)14-11-27-18-17(14)23-19(24-20(18)25)15-5-3-4-8-21-15/h3-9,11-12H,10H2,1-2H3,(H,23,24,25).
What are the key properties of 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 378.46 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).