3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol

C11H15N3OS2 — CID 66103205

IUPAC3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSCc1nc(N)c2ccsc2n1
InChIInChI=1S/C11H15N3OS2/c1-7(4-15)5-16-6-9-13-10(12)8-2-3-17-11(8)14-9/h2-3,7,15H,4-6H2,1H3,(H2,12,13,14)
InChIKeyRDDVUCNATNPFIG-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.14
Rot. Bonds5

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

3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol (PubChem CID 66103205) has the molecular formula C11H15N3OS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol
PubChem CID66103205
Molecular FormulaC11H15N3OS2
Molecular Weight269.39 g/mol
Exact Mass269.07
IUPAC Name3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSCc1nc(N)c2ccsc2n1
InChIInChI=1S/C11H15N3OS2/c1-7(4-15)5-16-6-9-13-10(12)8-2-3-17-11(8)14-9/h2-3,7,15H,4-6H2,1H3,(H2,12,13,14)
InChIKeyRDDVUCNATNPFIG-UHFFFAOYSA-N
XLogP2.14
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol (CID 66103205) is 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol is CC(CO)CSCc1nc(N)c2ccsc2n1.
What is the InChIKey of 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol?
The InChIKey is RDDVUCNATNPFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c1-7(4-15)5-16-6-9-13-10(12)8-2-3-17-11(8)14-9/h2-3,7,15H,4-6H2,1H3,(H2,12,13,14).
What are the key properties of 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol?
3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 66103205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).