2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C25H26N4O2S — CID 16553286

IUPAC2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(OCCNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C25H26N4O2S/c1-3-7-19(8-4-1)21-18-32-25-23(21)24(26-11-14-31-20-9-5-2-6-10-20)27-22(28-25)17-29-12-15-30-16-13-29/h1-10,18H,11-17H2,(H,26,27,28)
InChIKeyIZGGCCKOVXPZGA-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.68
Rot. Bonds8

About 2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 16553286) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID16553286
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(OCCNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C25H26N4O2S/c1-3-7-19(8-4-1)21-18-32-25-23(21)24(26-11-14-31-20-9-5-2-6-10-20)27-22(28-25)17-29-12-15-30-16-13-29/h1-10,18H,11-17H2,(H,26,27,28)
InChIKeyIZGGCCKOVXPZGA-UHFFFAOYSA-N
XLogP4.68
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 16553286) is 2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is c1ccc(OCCNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)cc1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IZGGCCKOVXPZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-3-7-19(8-4-1)21-18-32-25-23(21)24(26-11-14-31-20-9-5-2-6-10-20)27-22(28-25)17-29-12-15-30-16-13-29/h1-10,18H,11-17H2,(H,26,27,28).
What are the key properties of 2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 446.58 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 16553286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).