4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine

C21H18N4OS — CID 9279228

IUPAC4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
SMILESc1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)cc1
InChIInChI=1S/C21H18N4OS/c1-2-6-15(7-3-1)16-14-27-21-18(16)20(25-10-12-26-13-11-25)23-19(24-21)17-8-4-5-9-22-17/h1-9,14H,10-13H2
InChIKeyUTGLTRXTYZSAJD-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.26
Rot. Bonds3

About 4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine

4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine (PubChem CID 9279228) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
PubChem CID9279228
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
SMILESc1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)cc1
InChIInChI=1S/C21H18N4OS/c1-2-6-15(7-3-1)16-14-27-21-18(16)20(25-10-12-26-13-11-25)23-19(24-21)17-8-4-5-9-22-17/h1-9,14H,10-13H2
InChIKeyUTGLTRXTYZSAJD-UHFFFAOYSA-N
XLogP4.26
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine (CID 9279228) is 4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine is c1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)cc1.
What is the InChIKey of 4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The InChIKey is UTGLTRXTYZSAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-2-6-15(7-3-1)16-14-27-21-18(16)20(25-10-12-26-13-11-25)23-19(24-21)17-8-4-5-9-22-17/h1-9,14H,10-13H2.
What are the key properties of 4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine?
4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 374.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 9279228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).