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

C22H20N4O2S — CID 137429841

IUPAC7-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2c(-c3ccc(CN4CCOCC4)cc3)csc12
InChIInChI=1S/C22H20N4O2S/c27-22-20-19(24-21(25-22)18-3-1-2-8-23-18)17(14-29-20)16-6-4-15(5-7-16)13-26-9-11-28-12-10-26/h1-8,14H,9-13H2,(H,24,25,27)
InChIKeyTWGARBKZGXNZAV-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.55
Rot. Bonds4

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

7-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429841) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 7-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429841
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name7-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2c(-c3ccc(CN4CCOCC4)cc3)csc12
InChIInChI=1S/C22H20N4O2S/c27-22-20-19(24-21(25-22)18-3-1-2-8-23-18)17(14-29-20)16-6-4-15(5-7-16)13-26-9-11-28-12-10-26/h1-8,14H,9-13H2,(H,24,25,27)
InChIKeyTWGARBKZGXNZAV-UHFFFAOYSA-N
XLogP3.55
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429841) is 7-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccn2)nc2c(-c3ccc(CN4CCOCC4)cc3)csc12.
What is the InChIKey of 7-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is TWGARBKZGXNZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c27-22-20-19(24-21(25-22)18-3-1-2-8-23-18)17(14-29-20)16-6-4-15(5-7-16)13-26-9-11-28-12-10-26/h1-8,14H,9-13H2,(H,24,25,27).
What are the key properties of 7-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 404.50 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).