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

C16H14ClN3OS — CID 166626749

IUPAC4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESClc1cccc(-c2csc3ncnc(N4CCOCC4)c23)c1
InChIInChI=1S/C16H14ClN3OS/c17-12-3-1-2-11(8-12)13-9-22-16-14(13)15(18-10-19-16)20-4-6-21-7-5-20/h1-3,8-10H,4-7H2
InChIKeyYZIQYKQJFHIQKO-UHFFFAOYSA-N
MW331.83 g/mol
LogP3.85
Rot. Bonds2

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

4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 166626749) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID166626749
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESClc1cccc(-c2csc3ncnc(N4CCOCC4)c23)c1
InChIInChI=1S/C16H14ClN3OS/c17-12-3-1-2-11(8-12)13-9-22-16-14(13)15(18-10-19-16)20-4-6-21-7-5-20/h1-3,8-10H,4-7H2
InChIKeyYZIQYKQJFHIQKO-UHFFFAOYSA-N
XLogP3.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (CID 166626749) is 4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is Clc1cccc(-c2csc3ncnc(N4CCOCC4)c23)c1.
What is the InChIKey of 4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is YZIQYKQJFHIQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c17-12-3-1-2-11(8-12)13-9-22-16-14(13)15(18-10-19-16)20-4-6-21-7-5-20/h1-3,8-10H,4-7H2.
What are the key properties of 4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 331.83 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 166626749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).