2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide

C12H18N6OS — CID 103332682

IUPAC2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1nc(NN)nc2sccc12
InChIInChI=1S/C12H18N6OS/c1-4-18(7-9(19)17(2)3)10-8-5-6-20-11(8)15-12(14-10)16-13/h5-6H,4,7,13H2,1-3H3,(H,14,15,16)
InChIKeyVIFYCFUFXLDWHR-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.89
Rot. Bonds5

About 2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide

2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide (PubChem CID 103332682) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
PubChem CID103332682
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1nc(NN)nc2sccc12
InChIInChI=1S/C12H18N6OS/c1-4-18(7-9(19)17(2)3)10-8-5-6-20-11(8)15-12(14-10)16-13/h5-6H,4,7,13H2,1-3H3,(H,14,15,16)
InChIKeyVIFYCFUFXLDWHR-UHFFFAOYSA-N
XLogP0.89
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
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-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 103325810
2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 103332950
N-benzyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103334130
N-ethyl-2-hydrazinyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 103333918
N-cyclopropyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335410
4-N-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324590
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 103332235
N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103335783
2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334358
N-(4-ethylcyclohexyl)-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103332677
3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103329993
4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330872

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide (CID 103332682) is 2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1nc(NN)nc2sccc12.
What is the InChIKey of 2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide?
The InChIKey is VIFYCFUFXLDWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-4-18(7-9(19)17(2)3)10-8-5-6-20-11(8)15-12(14-10)16-13/h5-6H,4,7,13H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide?
2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide has a molecular weight of 294.38 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 103332682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).