ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate

C10H17N5O2 — CID 80897570

IUPACethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1cc(C)nc(NN)n1
InChIInChI=1S/C10H17N5O2/c1-4-17-9(16)7(3)13-8-5-6(2)12-10(14-8)15-11/h5,7H,4,11H2,1-3H3,(H2,12,13,14,15)
InChIKeySXMKFAZSOIUQJU-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.43
Rot. Bonds5

About ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate

ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate (PubChem CID 80897570) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate
PubChem CID80897570
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Nameethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1cc(C)nc(NN)n1
InChIInChI=1S/C10H17N5O2/c1-4-17-9(16)7(3)13-8-5-6(2)12-10(14-8)15-11/h5,7H,4,11H2,1-3H3,(H2,12,13,14,15)
InChIKeySXMKFAZSOIUQJU-UHFFFAOYSA-N
XLogP0.43
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.43
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-hydrazinyl-6-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80897678
ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 80964798
ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947723
(2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80923311
ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate
CID 61499213
ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate
CID 80897794
ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332795
methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate
CID 80944792
ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80954453
N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80800769
ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate
CID 102436665
N-ethyl-N-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 103114042

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate (CID 80897570) is ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate is CCOC(=O)C(C)Nc1cc(C)nc(NN)n1.
What is the InChIKey of ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate?
The InChIKey is SXMKFAZSOIUQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-4-17-9(16)7(3)13-8-5-6(2)12-10(14-8)15-11/h5,7H,4,11H2,1-3H3,(H2,12,13,14,15).
What are the key properties of ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate?
ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate has a molecular weight of 239.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 80897570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).