3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol

C10H19N5O — CID 80926437

IUPAC3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1ccnc(NN)n1
InChIInChI=1S/C10H19N5O/c1-2-8(4-6-16)7-13-9-3-5-12-10(14-9)15-11/h3,5,8,16H,2,4,6-7,11H2,1H3,(H2,12,13,14,15)
InChIKeyVHEARNIGSAVVAJ-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.58
Rot. Bonds7

About 3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol

3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol (PubChem CID 80926437) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol
PubChem CID80926437
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1ccnc(NN)n1
InChIInChI=1S/C10H19N5O/c1-2-8(4-6-16)7-13-9-3-5-12-10(14-9)15-11/h3,5,8,16H,2,4,6-7,11H2,1H3,(H2,12,13,14,15)
InChIKeyVHEARNIGSAVVAJ-UHFFFAOYSA-N
XLogP0.58
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.58
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-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80926110
3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80968493
2-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 80897391
N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 106901045
2-ethyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol
CID 107868726
3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 103705117
1-[[2-(ethylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779056
3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol
CID 104844107
methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate
CID 107816442
3-methyl-4-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 66108604
3-[[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol
CID 80929099
3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 114565499

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol (CID 80926437) is 3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol is CCC(CCO)CNc1ccnc(NN)n1.
What is the InChIKey of 3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
The InChIKey is VHEARNIGSAVVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-2-8(4-6-16)7-13-9-3-5-12-10(14-9)15-11/h3,5,8,16H,2,4,6-7,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol has a molecular weight of 225.30 g/mol, XLogP of 0.58, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol is sourced from PubChem (CID 80926437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).