N-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide

C13H20N6OS — CID 103332914

IUPACN-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
SMILESCCNC(=O)CN(C)c1nc(NN)nc2sc(CC)cc12
InChIInChI=1S/C13H20N6OS/c1-4-8-6-9-11(19(3)7-10(20)15-5-2)16-13(18-14)17-12(9)21-8/h6H,4-5,7,14H2,1-3H3,(H,15,20)(H,16,17,18)
InChIKeyZIFNYIIFEFTTNK-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.11
Rot. Bonds6

About N-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide

N-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide (PubChem CID 103332914) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
PubChem CID103332914
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC NameN-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
SMILESCCNC(=O)CN(C)c1nc(NN)nc2sc(CC)cc12
InChIInChI=1S/C13H20N6OS/c1-4-8-6-9-11(19(3)7-10(20)15-5-2)16-13(18-14)17-12(9)21-8/h6H,4-5,7,14H2,1-3H3,(H,15,20)(H,16,17,18)
InChIKeyZIFNYIIFEFTTNK-UHFFFAOYSA-N
XLogP1.11
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide
CID 103326256
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 103332235
N-(2,2-difluoroethyl)-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103335769
N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103335611
N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334096
6-ethyl-2-hydrazinyl-N,N-dipropylthieno[2,3-d]pyrimidin-4-amine
CID 103335029
6-ethyl-2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333041
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
N-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334924
methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332518
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol
CID 103324497
4-N-[2-(dimethylamino)ethyl]-2-N,6-diethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327863

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
The IUPAC name of N-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide (CID 103332914) is N-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
The canonical SMILES for N-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide is CCNC(=O)CN(C)c1nc(NN)nc2sc(CC)cc12.
What is the InChIKey of N-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
The InChIKey is ZIFNYIIFEFTTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-4-8-6-9-11(19(3)7-10(20)15-5-2)16-13(18-14)17-12(9)21-8/h6H,4-5,7,14H2,1-3H3,(H,15,20)(H,16,17,18).
What are the key properties of N-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
N-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide has a molecular weight of 308.41 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide is sourced from PubChem (CID 103332914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).