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

C19H21N3O2S — CID 46017840

IUPAC5-(3,4-dimethylphenyl)-2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc(CN4CCOCC4)[nH]c(=O)c23)cc1C
InChIInChI=1S/C19H21N3O2S/c1-12-3-4-14(9-13(12)2)15-11-25-19-17(15)18(23)20-16(21-19)10-22-5-7-24-8-6-22/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,21,23)
InChIKeyFLHDTLYNWXAMHD-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.10
Rot. Bonds3

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

5-(3,4-dimethylphenyl)-2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 46017840) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID46017840
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name5-(3,4-dimethylphenyl)-2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc(CN4CCOCC4)[nH]c(=O)c23)cc1C
InChIInChI=1S/C19H21N3O2S/c1-12-3-4-14(9-13(12)2)15-11-25-19-17(15)18(23)20-16(21-19)10-22-5-7-24-8-6-22/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,21,23)
InChIKeyFLHDTLYNWXAMHD-UHFFFAOYSA-N
XLogP3.10
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3,4-dimethylphenyl)-2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 46017840) is 5-(3,4-dimethylphenyl)-2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3,4-dimethylphenyl)-2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2csc3nc(CN4CCOCC4)[nH]c(=O)c23)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is FLHDTLYNWXAMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-3-4-14(9-13(12)2)15-11-25-19-17(15)18(23)20-16(21-19)10-22-5-7-24-8-6-22/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,21,23).
What are the key properties of 5-(3,4-dimethylphenyl)-2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-(3,4-dimethylphenyl)-2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 355.46 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 46017840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).