tert-butyl N-[2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propyl]carbamate

C17H26N4O2S — CID 133485031

IUPACtert-butyl N-[2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propyl]carbamate
SMILESCc1nc(N(C)C(C)CNC(=O)OC(C)(C)C)c2c(C)csc2n1
InChIInChI=1S/C17H26N4O2S/c1-10-9-24-15-13(10)14(19-12(3)20-15)21(7)11(2)8-18-16(22)23-17(4,5)6/h9,11H,8H2,1-7H3,(H,18,22)
InChIKeyRILQPGBMBKOQKW-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.66
Rot. Bonds4

About tert-butyl N-[2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propyl]carbamate

tert-butyl N-[2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propyl]carbamate (PubChem CID 133485031) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propyl]carbamate
PubChem CID133485031
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Nametert-butyl N-[2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propyl]carbamate
SMILESCc1nc(N(C)C(C)CNC(=O)OC(C)(C)C)c2c(C)csc2n1
InChIInChI=1S/C17H26N4O2S/c1-10-9-24-15-13(10)14(19-12(3)20-15)21(7)11(2)8-18-16(22)23-17(4,5)6/h9,11H,8H2,1-7H3,(H,18,22)
InChIKeyRILQPGBMBKOQKW-UHFFFAOYSA-N
XLogP3.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propyl]carbamate (CID 133485031) is tert-butyl N-[2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propyl]carbamate is Cc1nc(N(C)C(C)CNC(=O)OC(C)(C)C)c2c(C)csc2n1.
What is the InChIKey of tert-butyl N-[2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propyl]carbamate?
The InChIKey is RILQPGBMBKOQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-10-9-24-15-13(10)14(19-12(3)20-15)21(7)11(2)8-18-16(22)23-17(4,5)6/h9,11H,8H2,1-7H3,(H,18,22).
What are the key properties of tert-butyl N-[2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propyl]carbamate?
tert-butyl N-[2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propyl]carbamate has a molecular weight of 350.49 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propyl]carbamate is sourced from PubChem (CID 133485031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).