7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C21H20N4O2S — CID 137429457

IUPAC7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(C)CCOc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1
InChIInChI=1S/C21H20N4O2S/c1-25(2)10-11-27-15-7-5-6-14(12-15)16-13-28-19-18(16)23-20(24-21(19)26)17-8-3-4-9-22-17/h3-9,12-13H,10-11H2,1-2H3,(H,23,24,26)
InChIKeyQZSRBUAGNHHQRI-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.65
Rot. Bonds6

About 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429457) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429457
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(C)CCOc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1
InChIInChI=1S/C21H20N4O2S/c1-25(2)10-11-27-15-7-5-6-14(12-15)16-13-28-19-18(16)23-20(24-21(19)26)17-8-3-4-9-22-17/h3-9,12-13H,10-11H2,1-2H3,(H,23,24,26)
InChIKeyQZSRBUAGNHHQRI-UHFFFAOYSA-N
XLogP3.65
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429457) is 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is CN(C)CCOc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.
What is the InChIKey of 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is QZSRBUAGNHHQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-25(2)10-11-27-15-7-5-6-14(12-15)16-13-28-19-18(16)23-20(24-21(19)26)17-8-3-4-9-22-17/h3-9,12-13H,10-11H2,1-2H3,(H,23,24,26).
What are the key properties of 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 392.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).