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

C13H23N5O2 — CID 80946727

IUPACethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate
SMILESCCCc1nc(NN)cc(NCCCC(=O)OCC)n1
InChIInChI=1S/C13H23N5O2/c1-3-6-10-16-11(9-12(17-10)18-14)15-8-5-7-13(19)20-4-2/h9H,3-8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyOTJFMKKGKBPLHM-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.47
Rot. Bonds9

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

ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate (PubChem CID 80946727) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate
PubChem CID80946727
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Nameethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate
SMILESCCCc1nc(NN)cc(NCCCC(=O)OCC)n1
InChIInChI=1S/C13H23N5O2/c1-3-6-10-16-11(9-12(17-10)18-14)15-8-5-7-13(19)20-4-2/h9H,3-8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyOTJFMKKGKBPLHM-UHFFFAOYSA-N
XLogP1.47
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate
CID 80908084
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106280838
ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947723
5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 114152330
N-(6-hydrazinyl-2-propylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043629
methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80954586
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
ethyl 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136959024
ethyl 4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butanoate
CID 80951372
ethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate
CID 64579139
4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide
CID 80933799

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate?
The IUPAC name of ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate (CID 80946727) is ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate?
The canonical SMILES for ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate is CCCc1nc(NN)cc(NCCCC(=O)OCC)n1.
What is the InChIKey of ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate?
The InChIKey is OTJFMKKGKBPLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-6-10-16-11(9-12(17-10)18-14)15-8-5-7-13(19)20-4-2/h9H,3-8,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate?
ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate has a molecular weight of 281.36 g/mol, XLogP of 1.47, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate is sourced from PubChem (CID 80946727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).