4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine

C16H15N3OS — CID 693923

IUPAC4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
SMILESc1ccc(-c2csc3ncnc(N4CCOCC4)c23)cc1
InChIInChI=1S/C16H15N3OS/c1-2-4-12(5-3-1)13-10-21-16-14(13)15(17-11-18-16)19-6-8-20-9-7-19/h1-5,10-11H,6-9H2
InChIKeyMTIPGLXPYIMUHL-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.19
Rot. Bonds2

About 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine

4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine (PubChem CID 693923) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
PubChem CID693923
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
SMILESc1ccc(-c2csc3ncnc(N4CCOCC4)c23)cc1
InChIInChI=1S/C16H15N3OS/c1-2-4-12(5-3-1)13-10-21-16-14(13)15(17-11-18-16)19-6-8-20-9-7-19/h1-5,10-11H,6-9H2
InChIKeyMTIPGLXPYIMUHL-UHFFFAOYSA-N
XLogP3.19
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine (CID 693923) is 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine is c1ccc(-c2csc3ncnc(N4CCOCC4)c23)cc1.
What is the InChIKey of 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The InChIKey is MTIPGLXPYIMUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-2-4-12(5-3-1)13-10-21-16-14(13)15(17-11-18-16)19-6-8-20-9-7-19/h1-5,10-11H,6-9H2.
What are the key properties of 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine?
4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 297.38 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 693923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).