5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol

C9H16BrN5O — CID 106138742

IUPAC5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1ncnc(NN)c1Br
InChIInChI=1S/C9H16BrN5O/c1-6(16)3-2-4-12-8-7(10)9(15-11)14-5-13-8/h5-6,16H,2-4,11H2,1H3,(H2,12,13,14,15)
InChIKeyIWEJSBOOMQOUHJ-UHFFFAOYSA-N
MW290.17 g/mol
LogP1.10
Rot. Bonds6

About 5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol

5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 106138742) has the molecular formula C9H16BrN5O and a molecular weight of 290.17 g/mol. Its IUPAC name is 5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
PubChem CID106138742
Molecular FormulaC9H16BrN5O
Molecular Weight290.17 g/mol
Exact Mass289.05
IUPAC Name5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1ncnc(NN)c1Br
InChIInChI=1S/C9H16BrN5O/c1-6(16)3-2-4-12-8-7(10)9(15-11)14-5-13-8/h5-6,16H,2-4,11H2,1H3,(H2,12,13,14,15)
InChIKeyIWEJSBOOMQOUHJ-UHFFFAOYSA-N
XLogP1.10
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'}

Analyze 5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol with MolForge

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Related Compounds

5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138739
5-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138738
5-[(6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138705
5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106129032
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148658
5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol
CID 107269196
5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol
CID 106128835
5-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163669
5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138744
5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 106262742
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80943609
5-bromo-6-N-ethyl-4-N-(4-propan-2-yloxybutyl)pyrimidine-4,6-diamine
CID 106014624

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol (CID 106138742) is 5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol is CC(O)CCCNc1ncnc(NN)c1Br.
What is the InChIKey of 5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is IWEJSBOOMQOUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN5O/c1-6(16)3-2-4-12-8-7(10)9(15-11)14-5-13-8/h5-6,16H,2-4,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol?
5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 290.17 g/mol, XLogP of 1.10, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 106138742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).