6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol

C10H20N6O — CID 107855025

IUPAC6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol
SMILESNNc1cc(NCCCCCCO)nc(N)n1
InChIInChI=1S/C10H20N6O/c11-10-14-8(7-9(15-10)16-12)13-5-3-1-2-4-6-17/h7,17H,1-6,12H2,(H4,11,13,14,15,16)
InChIKeyOAHBTUPGYDTAKN-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.31
Rot. Bonds8

About 6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol

6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol (PubChem CID 107855025) has the molecular formula C10H20N6O and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol
PubChem CID107855025
Molecular FormulaC10H20N6O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol
SMILESNNc1cc(NCCCCCCO)nc(N)n1
InChIInChI=1S/C10H20N6O/c11-10-14-8(7-9(15-10)16-12)13-5-3-1-2-4-6-17/h7,17H,1-6,12H2,(H4,11,13,14,15,16)
InChIKeyOAHBTUPGYDTAKN-UHFFFAOYSA-N
XLogP0.31
TPSA122.11 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.31
H-Bond Donors ≤ 55
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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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol (CID 107855025) is 6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol is NNc1cc(NCCCCCCO)nc(N)n1.
What is the InChIKey of 6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol?
The InChIKey is OAHBTUPGYDTAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O/c11-10-14-8(7-9(15-10)16-12)13-5-3-1-2-4-6-17/h7,17H,1-6,12H2,(H4,11,13,14,15,16).
What are the key properties of 6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol?
6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol has a molecular weight of 240.31 g/mol, XLogP of 0.31, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 107855025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).