2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol

C13H20N4OS — CID 103329881

IUPAC2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol
SMILESCCNc1nc(N(C)C(C)CO)c2cc(C)sc2n1
InChIInChI=1S/C13H20N4OS/c1-5-14-13-15-11(17(4)8(2)7-18)10-6-9(3)19-12(10)16-13/h6,8,18H,5,7H2,1-4H3,(H,14,15,16)
InChIKeyOEWJIJOJUGAJSB-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.25
Rot. Bonds5

About 2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol

2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol (PubChem CID 103329881) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol
PubChem CID103329881
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol
SMILESCCNc1nc(N(C)C(C)CO)c2cc(C)sc2n1
InChIInChI=1S/C13H20N4OS/c1-5-14-13-15-11(17(4)8(2)7-18)10-6-9(3)19-12(10)16-13/h6,8,18H,5,7H2,1-4H3,(H,14,15,16)
InChIKeyOEWJIJOJUGAJSB-UHFFFAOYSA-N
XLogP2.25
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol (CID 103329881) is 2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol is CCNc1nc(N(C)C(C)CO)c2cc(C)sc2n1.
What is the InChIKey of 2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol?
The InChIKey is OEWJIJOJUGAJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-5-14-13-15-11(17(4)8(2)7-18)10-6-9(3)19-12(10)16-13/h6,8,18H,5,7H2,1-4H3,(H,14,15,16).
What are the key properties of 2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol?
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol has a molecular weight of 280.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 103329881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).