5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol

C17H19N3OS — CID 28849745

IUPAC5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESOCCCCCNc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C17H19N3OS/c21-10-6-2-5-9-18-16-15-14(13-7-3-1-4-8-13)11-22-17(15)20-12-19-16/h1,3-4,7-8,11-12,21H,2,5-6,9-10H2,(H,18,19,20)
InChIKeyYYFOTLMSEJEYHS-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.93
Rot. Bonds7

About 5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol

5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 28849745) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
PubChem CID28849745
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESOCCCCCNc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C17H19N3OS/c21-10-6-2-5-9-18-16-15-14(13-7-3-1-4-8-13)11-22-17(15)20-12-19-16/h1,3-4,7-8,11-12,21H,2,5-6,9-10H2,(H,18,19,20)
InChIKeyYYFOTLMSEJEYHS-UHFFFAOYSA-N
XLogP3.93
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol (CID 28849745) is 5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol is OCCCCCNc1ncnc2scc(-c3ccccc3)c12.
What is the InChIKey of 5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is YYFOTLMSEJEYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c21-10-6-2-5-9-18-16-15-14(13-7-3-1-4-8-13)11-22-17(15)20-12-19-16/h1,3-4,7-8,11-12,21H,2,5-6,9-10H2,(H,18,19,20).
What are the key properties of 5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 313.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 28849745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).