methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate

C12H17N5O2S — CID 103332518

IUPACmethyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
SMILESCCc1cc2c(NCCC(=O)OC)nc(NN)nc2s1
InChIInChI=1S/C12H17N5O2S/c1-3-7-6-8-10(14-5-4-9(18)19-2)15-12(17-13)16-11(8)20-7/h6H,3-5,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyULOTXLHOBMDZTR-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.51
Rot. Bonds6

About methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate

methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate (PubChem CID 103332518) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
PubChem CID103332518
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Namemethyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
SMILESCCc1cc2c(NCCC(=O)OC)nc(NN)nc2s1
InChIInChI=1S/C12H17N5O2S/c1-3-7-6-8-10(14-5-4-9(18)19-2)15-12(17-13)16-11(8)20-7/h6H,3-5,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyULOTXLHOBMDZTR-UHFFFAOYSA-N
XLogP1.51
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103335611
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103335072
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103325279
ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332795
N-(2-ethoxy-2-methylpropyl)-6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335867
[6-ethyl-4-[(2-methylpropan-2-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336021
3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179605
6-ethyl-N-(furan-3-ylmethyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335794
3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 654691
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 103332235
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate (CID 103332518) is methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate is CCc1cc2c(NCCC(=O)OC)nc(NN)nc2s1.
What is the InChIKey of methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
The InChIKey is ULOTXLHOBMDZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-3-7-6-8-10(14-5-4-9(18)19-2)15-12(17-13)16-11(8)20-7/h6H,3-5,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate has a molecular weight of 295.37 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 103332518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).