2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine

C13H17N3OS2 — CID 116522086

IUPAC2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC1(C)CCC(CSc2nc(N)c3ccsc3n2)O1
InChIInChI=1S/C13H17N3OS2/c1-13(2)5-3-8(17-13)7-19-12-15-10(14)9-4-6-18-11(9)16-12/h4,6,8H,3,5,7H2,1-2H3,(H2,14,15,16)
InChIKeyMURBYFOUSIJLQQ-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.32
Rot. Bonds3

About 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine

2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 116522086) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID116522086
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC1(C)CCC(CSc2nc(N)c3ccsc3n2)O1
InChIInChI=1S/C13H17N3OS2/c1-13(2)5-3-8(17-13)7-19-12-15-10(14)9-4-6-18-11(9)16-12/h4,6,8H,3,5,7H2,1-2H3,(H2,14,15,16)
InChIKeyMURBYFOUSIJLQQ-UHFFFAOYSA-N
XLogP3.32
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine (CID 116522086) is 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine is CC1(C)CCC(CSc2nc(N)c3ccsc3n2)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MURBYFOUSIJLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-13(2)5-3-8(17-13)7-19-12-15-10(14)9-4-6-18-11(9)16-12/h4,6,8H,3,5,7H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 295.43 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 116522086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).