2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide

C13H19N5OS — CID 103324793

IUPAC2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide
SMILESCCNc1nc(N(C)CC(=O)NC)c2cc(C)sc2n1
InChIInChI=1S/C13H19N5OS/c1-5-15-13-16-11(18(4)7-10(19)14-3)9-6-8(2)20-12(9)17-13/h6H,5,7H2,1-4H3,(H,14,19)(H,15,16,17)
InChIKeyXXZDIOZCJSYCCX-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.61
Rot. Bonds5

About 2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide

2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide (PubChem CID 103324793) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide
PubChem CID103324793
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide
SMILESCCNc1nc(N(C)CC(=O)NC)c2cc(C)sc2n1
InChIInChI=1S/C13H19N5OS/c1-5-15-13-16-11(18(4)7-10(19)14-3)9-6-8(2)20-12(9)17-13/h6H,5,7H2,1-4H3,(H,14,19)(H,15,16,17)
InChIKeyXXZDIOZCJSYCCX-UHFFFAOYSA-N
XLogP1.61
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.61
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]-N-methylacetamide?
The IUPAC name of 2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide (CID 103324793) is 2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide is CCNc1nc(N(C)CC(=O)NC)c2cc(C)sc2n1.
What is the InChIKey of 2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide?
The InChIKey is XXZDIOZCJSYCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-5-15-13-16-11(18(4)7-10(19)14-3)9-6-8(2)20-12(9)17-13/h6H,5,7H2,1-4H3,(H,14,19)(H,15,16,17).
What are the key properties of 2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide?
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide has a molecular weight of 293.40 g/mol, XLogP of 1.61, 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]-N-methylacetamide is sourced from PubChem (CID 103324793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).