5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol

C17H18N2OS2 — CID 60613933

IUPAC5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol
SMILESOCCCCCSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H18N2OS2/c20-9-5-2-6-10-21-16-14-11-15(13-7-3-1-4-8-13)22-17(14)19-12-18-16/h1,3-4,7-8,11-12,20H,2,5-6,9-10H2
InChIKeyLWCUBBRJBFLOPA-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.61
Rot. Bonds7

About 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol

5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol (PubChem CID 60613933) has the molecular formula C17H18N2OS2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol.

Molecular Properties

Compound Name5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol
PubChem CID60613933
Molecular FormulaC17H18N2OS2
Molecular Weight330.48 g/mol
Exact Mass330.09
IUPAC Name5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol
SMILESOCCCCCSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H18N2OS2/c20-9-5-2-6-10-21-16-14-11-15(13-7-3-1-4-8-13)22-17(14)19-12-18-16/h1,3-4,7-8,11-12,20H,2,5-6,9-10H2
InChIKeyLWCUBBRJBFLOPA-UHFFFAOYSA-N
XLogP4.61
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
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-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol?
The IUPAC name of 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol (CID 60613933) is 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol.
What is the SMILES notation for 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol?
The canonical SMILES for 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol is OCCCCCSc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol?
The InChIKey is LWCUBBRJBFLOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS2/c20-9-5-2-6-10-21-16-14-11-15(13-7-3-1-4-8-13)22-17(14)19-12-18-16/h1,3-4,7-8,11-12,20H,2,5-6,9-10H2.
What are the key properties of 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol?
5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol has a molecular weight of 330.48 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol is sourced from PubChem (CID 60613933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).