2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

C13H13N3OS — CID 59276706

IUPAC2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1ccc(-c2nc(N)c3ccsc3n2)o1
InChIInChI=1S/C13H13N3OS/c1-7(2)9-3-4-10(17-9)12-15-11(14)8-5-6-18-13(8)16-12/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyPNZFXRGLVGKPBD-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.66
Rot. Bonds2

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

2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 59276706) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID59276706
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1ccc(-c2nc(N)c3ccsc3n2)o1
InChIInChI=1S/C13H13N3OS/c1-7(2)9-3-4-10(17-9)12-15-11(14)8-5-6-18-13(8)16-12/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyPNZFXRGLVGKPBD-UHFFFAOYSA-N
XLogP3.66
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 59276706) is 2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is CC(C)c1ccc(-c2nc(N)c3ccsc3n2)o1.
What is the InChIKey of 2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PNZFXRGLVGKPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-7(2)9-3-4-10(17-9)12-15-11(14)8-5-6-18-13(8)16-12/h3-7H,1-2H3,(H2,14,15,16).
What are the key properties of 2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59276706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).