7-(2-benzylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C23H20N4O3S — CID 137429454

IUPAC7-(2-benzylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C23H20N4O3S/c28-22-20-19(25-21(26-22)18-8-4-5-9-24-18)17(14-31-20)23(29)27-10-11-30-16(13-27)12-15-6-2-1-3-7-15/h1-9,14,16H,10-13H2,(H,25,26,28)
InChIKeySYKLBTKGGHFQPJ-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.13
Rot. Bonds4

About 7-(2-benzylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-(2-benzylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429454) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 7-(2-benzylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2-benzylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429454
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name7-(2-benzylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C23H20N4O3S/c28-22-20-19(25-21(26-22)18-8-4-5-9-24-18)17(14-31-20)23(29)27-10-11-30-16(13-27)12-15-6-2-1-3-7-15/h1-9,14,16H,10-13H2,(H,25,26,28)
InChIKeySYKLBTKGGHFQPJ-UHFFFAOYSA-N
XLogP3.13
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-benzylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(2-benzylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429454) is 7-(2-benzylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2-benzylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(2-benzylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCOC(Cc2ccccc2)C1.
What is the InChIKey of 7-(2-benzylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is SYKLBTKGGHFQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c28-22-20-19(25-21(26-22)18-8-4-5-9-24-18)17(14-31-20)23(29)27-10-11-30-16(13-27)12-15-6-2-1-3-7-15/h1-9,14,16H,10-13H2,(H,25,26,28).
What are the key properties of 7-(2-benzylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-(2-benzylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 432.51 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-benzylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).