ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate

C11H19N5O2 — CID 80915942

IUPACethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate
SMILESCCOC(=O)CCCNc1ncnc(NN)c1C
InChIInChI=1S/C11H19N5O2/c1-3-18-9(17)5-4-6-13-10-8(2)11(16-12)15-7-14-10/h7H,3-6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyFJWDDHBCNBWEAO-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.83
Rot. Bonds7

About ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate

ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate (PubChem CID 80915942) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate
PubChem CID80915942
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Nameethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate
SMILESCCOC(=O)CCCNc1ncnc(NN)c1C
InChIInChI=1S/C11H19N5O2/c1-3-18-9(17)5-4-6-13-10-8(2)11(16-12)15-7-14-10/h7H,3-6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyFJWDDHBCNBWEAO-UHFFFAOYSA-N
XLogP0.83
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.83
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

ethyl 3-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80816605
N-(3-ethoxypropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80943910
ethyl 4-[(3-methylpyrazin-2-yl)amino]butanoate
CID 83062864
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80943609
4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
CID 66326842
N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80903690
ethyl 4-[(6-fluoropyrimidin-4-yl)amino]butanoate
CID 115417070
N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043625
ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate
CID 80817030
N-cyclopropyl-3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide
CID 80922661
ethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate
CID 106534889
ethyl 3-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 114072172

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate?
The IUPAC name of ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate (CID 80915942) is ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate?
The canonical SMILES for ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate is CCOC(=O)CCCNc1ncnc(NN)c1C.
What is the InChIKey of ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate?
The InChIKey is FJWDDHBCNBWEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-18-9(17)5-4-6-13-10-8(2)11(16-12)15-7-14-10/h7H,3-6,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate?
ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate has a molecular weight of 253.31 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate is sourced from PubChem (CID 80915942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).