ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate

C10H17N5O2 — CID 80908084

IUPACethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)CCNc1cc(NN)nc(C)n1
InChIInChI=1S/C10H17N5O2/c1-3-17-10(16)4-5-12-8-6-9(15-11)14-7(2)13-8/h6H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyJTCWZFYMYXMFGT-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.44
Rot. Bonds6

About ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate

ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate (PubChem CID 80908084) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate
PubChem CID80908084
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Nameethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)CCNc1cc(NN)nc(C)n1
InChIInChI=1S/C10H17N5O2/c1-3-17-10(16)4-5-12-8-6-9(15-11)14-7(2)13-8/h6H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyJTCWZFYMYXMFGT-UHFFFAOYSA-N
XLogP0.44
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.44
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 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate
CID 62481737
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80903463
ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 80816426
ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate
CID 80946727
methyl 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80964160
ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate
CID 80816143
ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate
CID 80923704
6-hydrazinyl-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 80932180
6-hydrazinyl-2-methyl-N-pentylpyrimidin-4-amine
CID 80932312
methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80964074
N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 114944783
2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-N-propylacetamide
CID 80905733

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate (CID 80908084) is ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate is CCOC(=O)CCNc1cc(NN)nc(C)n1.
What is the InChIKey of ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate?
The InChIKey is JTCWZFYMYXMFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-3-17-10(16)4-5-12-8-6-9(15-11)14-7(2)13-8/h6H,3-5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate?
ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate has a molecular weight of 239.28 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 80908084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).