3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol

C13H25N5O — CID 106118681

IUPAC3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc(C)nc(NN)c1C
InChIInChI=1S/C13H25N5O/c1-4-5-11(6-7-19)8-15-12-9(2)13(18-14)17-10(3)16-12/h11,19H,4-8,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyJNUIWKOGSOZUCM-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.59
Rot. Bonds8

About 3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol

3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol (PubChem CID 106118681) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol
PubChem CID106118681
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc(C)nc(NN)c1C
InChIInChI=1S/C13H25N5O/c1-4-5-11(6-7-19)8-15-12-9(2)13(18-14)17-10(3)16-12/h11,19H,4-8,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyJNUIWKOGSOZUCM-UHFFFAOYSA-N
XLogP1.59
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.59
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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Frequently Asked Questions

What is the IUPAC name of 3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol (CID 106118681) is 3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1nc(C)nc(NN)c1C.
What is the InChIKey of 3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
The InChIKey is JNUIWKOGSOZUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-4-5-11(6-7-19)8-15-12-9(2)13(18-14)17-10(3)16-12/h11,19H,4-8,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol has a molecular weight of 267.38 g/mol, XLogP of 1.59, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 106118681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).