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

C23H20N4O3S — CID 142506560

IUPAC7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccccc1C1CN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CCO1
InChIInChI=1S/C23H20N4O3S/c1-14-6-2-3-7-15(14)18-12-27(10-11-30-18)23(29)16-13-31-20-19(16)25-21(26-22(20)28)17-8-4-5-9-24-17/h2-9,13,18H,10-12H2,1H3,(H,25,26,28)
InChIKeyIWHZOWMSBLIEQA-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.57
Rot. Bonds3

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

7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 142506560) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID142506560
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccccc1C1CN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CCO1
InChIInChI=1S/C23H20N4O3S/c1-14-6-2-3-7-15(14)18-12-27(10-11-30-18)23(29)16-13-31-20-19(16)25-21(26-22(20)28)17-8-4-5-9-24-17/h2-9,13,18H,10-12H2,1H3,(H,25,26,28)
InChIKeyIWHZOWMSBLIEQA-UHFFFAOYSA-N
XLogP3.57
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 142506560) is 7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is Cc1ccccc1C1CN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CCO1.
What is the InChIKey of 7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is IWHZOWMSBLIEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-14-6-2-3-7-15(14)18-12-27(10-11-30-18)23(29)16-13-31-20-19(16)25-21(26-22(20)28)17-8-4-5-9-24-17/h2-9,13,18H,10-12H2,1H3,(H,25,26,28).
What are the key properties of 7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[2-(2-methylphenyl)morpholine-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 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 142506560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).