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

C12H21N5O2 — CID 80964798

IUPACethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C12H21N5O2/c1-5-19-12(18)8(4)14-9-6-10(17-13)16-11(15-9)7(2)3/h6-8H,5,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyKFLIJGMLNZPWJE-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.25
Rot. Bonds6

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

ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate (PubChem CID 80964798) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
PubChem CID80964798
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Nameethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C12H21N5O2/c1-5-19-12(18)8(4)14-9-6-10(17-13)16-11(15-9)7(2)3/h6-8H,5,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyKFLIJGMLNZPWJE-UHFFFAOYSA-N
XLogP1.25
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.25
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

ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947723
methyl 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80961777
ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate
CID 80897570
methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947630
N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964267
2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80897487
N-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide
CID 114133543
ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80954453
ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate
CID 102436665
(6-butan-2-yloxy-2-propan-2-ylpyrimidin-4-yl)hydrazine
CID 80969257
ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate
CID 61499213
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80946866

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate (CID 80964798) is ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate is CCOC(=O)C(C)Nc1cc(NN)nc(C(C)C)n1.
What is the InChIKey of ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate?
The InChIKey is KFLIJGMLNZPWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-5-19-12(18)8(4)14-9-6-10(17-13)16-11(15-9)7(2)3/h6-8H,5,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate?
ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate has a molecular weight of 267.33 g/mol, XLogP of 1.25, 6 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-propan-2-ylpyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 80964798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).