6-methyl-2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

C18H19N3O2S — CID 7309622

IUPAC6-methyl-2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(CN3CCOCC3)[nH]c(=O)c2c1-c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-12-15(13-5-3-2-4-6-13)16-17(22)19-14(20-18(16)24-12)11-21-7-9-23-10-8-21/h2-6H,7-11H2,1H3,(H,19,20,22)
InChIKeyZYOYGWZEEITFMX-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.79
Rot. Bonds3

About 6-methyl-2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

6-methyl-2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 7309622) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 6-methyl-2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID7309622
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name6-methyl-2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(CN3CCOCC3)[nH]c(=O)c2c1-c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-12-15(13-5-3-2-4-6-13)16-17(22)19-14(20-18(16)24-12)11-21-7-9-23-10-8-21/h2-6H,7-11H2,1H3,(H,19,20,22)
InChIKeyZYOYGWZEEITFMX-UHFFFAOYSA-N
XLogP2.79
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 210051
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CID 210053
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CID 2120324
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CID 733158
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CID 852959
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 7309622) is 6-methyl-2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(CN3CCOCC3)[nH]c(=O)c2c1-c1ccccc1.
What is the InChIKey of 6-methyl-2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is ZYOYGWZEEITFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-15(13-5-3-2-4-6-13)16-17(22)19-14(20-18(16)24-12)11-21-7-9-23-10-8-21/h2-6H,7-11H2,1H3,(H,19,20,22).
What are the key properties of 6-methyl-2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
6-methyl-2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 341.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7309622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).