3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile

C12H13N5S — CID 103326449

IUPAC3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile
SMILESN#CCCN(c1nc(N)nc2sccc12)C1CC1
InChIInChI=1S/C12H13N5S/c13-5-1-6-17(8-2-3-8)10-9-4-7-18-11(9)16-12(14)15-10/h4,7-8H,1-3,6H2,(H2,14,15,16)
InChIKeyJMZAJAUHBXQQCZ-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.16
Rot. Bonds4

About 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile

3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile (PubChem CID 103326449) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile.

Molecular Properties

Compound Name3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile
PubChem CID103326449
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile
SMILESN#CCCN(c1nc(N)nc2sccc12)C1CC1
InChIInChI=1S/C12H13N5S/c13-5-1-6-17(8-2-3-8)10-9-4-7-18-11(9)16-12(14)15-10/h4,7-8H,1-3,6H2,(H2,14,15,16)
InChIKeyJMZAJAUHBXQQCZ-UHFFFAOYSA-N
XLogP2.16
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile?
The IUPAC name of 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile (CID 103326449) is 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile.
What is the SMILES notation for 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile?
The canonical SMILES for 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile is N#CCCN(c1nc(N)nc2sccc12)C1CC1.
What is the InChIKey of 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile?
The InChIKey is JMZAJAUHBXQQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c13-5-1-6-17(8-2-3-8)10-9-4-7-18-11(9)16-12(14)15-10/h4,7-8H,1-3,6H2,(H2,14,15,16).
What are the key properties of 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile?
3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile has a molecular weight of 259.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile is sourced from PubChem (CID 103326449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).