5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine

C19H22N4O2S — CID 1276750

IUPAC5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1
InChIInChI=1S/C19H22N4O2S/c1-24-15-4-2-14(3-5-15)16-12-26-19-17(16)18(21-13-22-19)20-6-7-23-8-10-25-11-9-23/h2-5,12-13H,6-11H2,1H3,(H,20,21,22)
InChIKeyAOUHZLLIDZIVBY-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.11
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine

5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 1276750) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID1276750
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1
InChIInChI=1S/C19H22N4O2S/c1-24-15-4-2-14(3-5-15)16-12-26-19-17(16)18(21-13-22-19)20-6-7-23-8-10-25-11-9-23/h2-5,12-13H,6-11H2,1H3,(H,20,21,22)
InChIKeyAOUHZLLIDZIVBY-UHFFFAOYSA-N
XLogP3.11
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 1276750) is 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine is COc1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AOUHZLLIDZIVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-24-15-4-2-14(3-5-15)16-12-26-19-17(16)18(21-13-22-19)20-6-7-23-8-10-25-11-9-23/h2-5,12-13H,6-11H2,1H3,(H,20,21,22).
What are the key properties of 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 370.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 1276750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).