1-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-butoxypropan-2-ol

C13H19N3O2S2 — CID 107263338

IUPAC1-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CSc1nc(N)c2ccsc2n1
InChIInChI=1S/C13H19N3O2S2/c1-2-3-5-18-7-9(17)8-20-13-15-11(14)10-4-6-19-12(10)16-13/h4,6,9,17H,2-3,5,7-8H2,1H3,(H2,14,15,16)
InChIKeyUDMWOAPRDYYOQX-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.54
Rot. Bonds8

About 1-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-butoxypropan-2-ol

1-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-butoxypropan-2-ol (PubChem CID 107263338) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-butoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-butoxypropan-2-ol
PubChem CID107263338
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC Name1-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CSc1nc(N)c2ccsc2n1
InChIInChI=1S/C13H19N3O2S2/c1-2-3-5-18-7-9(17)8-20-13-15-11(14)10-4-6-19-12(10)16-13/h4,6,9,17H,2-3,5,7-8H2,1H3,(H2,14,15,16)
InChIKeyUDMWOAPRDYYOQX-UHFFFAOYSA-N
XLogP2.54
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 1-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-butoxypropan-2-ol?
The IUPAC name of 1-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-butoxypropan-2-ol (CID 107263338) is 1-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-butoxypropan-2-ol.
What is the SMILES notation for 1-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-butoxypropan-2-ol?
The canonical SMILES for 1-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-butoxypropan-2-ol is CCCCOCC(O)CSc1nc(N)c2ccsc2n1.
What is the InChIKey of 1-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-butoxypropan-2-ol?
The InChIKey is UDMWOAPRDYYOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-2-3-5-18-7-9(17)8-20-13-15-11(14)10-4-6-19-12(10)16-13/h4,6,9,17H,2-3,5,7-8H2,1H3,(H2,14,15,16).
What are the key properties of 1-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-butoxypropan-2-ol?
1-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-butoxypropan-2-ol has a molecular weight of 313.45 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-butoxypropan-2-ol is sourced from PubChem (CID 107263338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).