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

C13H19N5O2S — CID 103332795

IUPACethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1nc(NN)nc2sc(CC)cc12
InChIInChI=1S/C13H19N5O2S/c1-4-8-6-9-10(15-7(3)12(19)20-5-2)16-13(18-14)17-11(9)21-8/h6-7H,4-5,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyCBLJVCNYWOGJBE-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.90
Rot. Bonds6

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

ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate (PubChem CID 103332795) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
PubChem CID103332795
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Nameethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1nc(NN)nc2sc(CC)cc12
InChIInChI=1S/C13H19N5O2S/c1-4-8-6-9-10(15-7(3)12(19)20-5-2)16-13(18-14)17-11(9)21-8/h6-7H,4-5,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyCBLJVCNYWOGJBE-UHFFFAOYSA-N
XLogP1.90
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.90
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

methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103326065
2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103335521
methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332518
6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103335739
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103335072
6-ethyl-2-hydrazinyl-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103333941
N-(2-ethoxy-2-methylpropyl)-6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335867
N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103335611
methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 62005776
(2S)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 30254006
ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate
CID 80897570

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate (CID 103332795) is ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate is CCOC(=O)C(C)Nc1nc(NN)nc2sc(CC)cc12.
What is the InChIKey of ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
The InChIKey is CBLJVCNYWOGJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-4-8-6-9-10(15-7(3)12(19)20-5-2)16-13(18-14)17-11(9)21-8/h6-7H,4-5,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate has a molecular weight of 309.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 103332795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).