4-[2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

C18H17N3OS — CID 164608851

IUPAC4-[2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESC(=C/c1nc(N2CCOCC2)c2sccc2n1)\c1ccccc1
InChIInChI=1S/C18H17N3OS/c1-2-4-14(5-3-1)6-7-16-19-15-8-13-23-17(15)18(20-16)21-9-11-22-12-10-21/h1-8,13H,9-12H2/b7-6+
InChIKeyXIDUARDRMDQRHL-VOTSOKGWSA-N
MW323.42 g/mol
LogP3.70
Rot. Bonds3

About 4-[2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 164608851) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-[2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID164608851
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name4-[2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESC(=C/c1nc(N2CCOCC2)c2sccc2n1)\c1ccccc1
InChIInChI=1S/C18H17N3OS/c1-2-4-14(5-3-1)6-7-16-19-15-8-13-23-17(15)18(20-16)21-9-11-22-12-10-21/h1-8,13H,9-12H2/b7-6+
InChIKeyXIDUARDRMDQRHL-VOTSOKGWSA-N
XLogP3.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 164608851) is 4-[2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is C(=C/c1nc(N2CCOCC2)c2sccc2n1)\c1ccccc1.
What is the InChIKey of 4-[2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is XIDUARDRMDQRHL-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-2-4-14(5-3-1)6-7-16-19-15-8-13-23-17(15)18(20-16)21-9-11-22-12-10-21/h1-8,13H,9-12H2/b7-6+.
What are the key properties of 4-[2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 323.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 164608851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).