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

C12H21N5O2 — CID 80947723

IUPACethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
SMILESCCCc1nc(NN)cc(NC(C)C(=O)OCC)n1
InChIInChI=1S/C12H21N5O2/c1-4-6-9-15-10(7-11(16-9)17-13)14-8(3)12(18)19-5-2/h7-8H,4-6,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyGXCXTKJWXWVAFO-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.08
Rot. Bonds7

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

ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate (PubChem CID 80947723) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
PubChem CID80947723
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Nameethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
SMILESCCCc1nc(NN)cc(NC(C)C(=O)OCC)n1
InChIInChI=1S/C12H21N5O2/c1-4-6-9-15-10(7-11(16-9)17-13)14-8(3)12(18)19-5-2/h7-8H,4-6,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyGXCXTKJWXWVAFO-UHFFFAOYSA-N
XLogP1.08
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.08
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

methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947630
ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80954453
ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 80964798
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80946866
6-hydrazinyl-N-(3-methylpentan-2-yl)-2-propylpyrimidin-4-amine
CID 80946706
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80947239
methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80955368
ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate
CID 80897570
ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate
CID 80946727
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 80947147
6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80942940
6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine
CID 80946800

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate (CID 80947723) is ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate is CCCc1nc(NN)cc(NC(C)C(=O)OCC)n1.
What is the InChIKey of ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate?
The InChIKey is GXCXTKJWXWVAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-6-9-15-10(7-11(16-9)17-13)14-8(3)12(18)19-5-2/h7-8H,4-6,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate?
ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate has a molecular weight of 267.33 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 80947723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).