3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol

C10H19N5O — CID 80915064

IUPAC3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1cc(NN)ncn1
InChIInChI=1S/C10H19N5O/c1-3-10(16,4-2)6-12-8-5-9(15-11)14-7-13-8/h5,7,16H,3-4,6,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyQXYQPVLXXFMQAU-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.73
Rot. Bonds6

About 3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol

3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol (PubChem CID 80915064) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol
PubChem CID80915064
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1cc(NN)ncn1
InChIInChI=1S/C10H19N5O/c1-3-10(16,4-2)6-12-8-5-9(15-11)14-7-13-8/h5,7,16H,3-4,6,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyQXYQPVLXXFMQAU-UHFFFAOYSA-N
XLogP0.73
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80937785
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 66329217
2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol
CID 106179583
N-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine
CID 80926441
1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 114169926
N-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 80920027
6-hydrazinyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 80932371
6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 80903091
3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80842506
3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80950175
N-(3-ethoxypropyl)-6-hydrazinylpyrimidin-4-amine
CID 80944066
5-[(6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138705

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol (CID 80915064) is 3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1cc(NN)ncn1.
What is the InChIKey of 3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
The InChIKey is QXYQPVLXXFMQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-10(16,4-2)6-12-8-5-9(15-11)14-7-13-8/h5,7,16H,3-4,6,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol has a molecular weight of 225.30 g/mol, XLogP of 0.73, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 80915064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).