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

C12H23N5O — CID 106118660

IUPAC3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ncnc(NN)c1C
InChIInChI=1S/C12H23N5O/c1-3-4-10(5-6-18)7-14-11-9(2)12(17-13)16-8-15-11/h8,10,18H,3-7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyIQSBDFXDMOIBIU-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.28
Rot. Bonds8

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

3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol (PubChem CID 106118660) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
PubChem CID106118660
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ncnc(NN)c1C
InChIInChI=1S/C12H23N5O/c1-3-4-10(5-6-18)7-14-11-9(2)12(17-13)16-8-15-11/h8,10,18H,3-7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyIQSBDFXDMOIBIU-UHFFFAOYSA-N
XLogP1.28
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.28
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'}

Analyze 3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol with MolForge

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Related Compounds

3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106118681
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115794
3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 113344426
3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106113772
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106358458
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80943609
3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]hexan-1-ol
CID 103827619
6-hydrazinyl-5-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80913030
3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80852382
3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 103748507
4-[2-(2-hydroxyethyl)pentylamino]pyrimidine-5-carbonitrile
CID 112755216
3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116854

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol (CID 106118660) is 3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1ncnc(NN)c1C.
What is the InChIKey of 3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
The InChIKey is IQSBDFXDMOIBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-3-4-10(5-6-18)7-14-11-9(2)12(17-13)16-8-15-11/h8,10,18H,3-7,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 1.28, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 106118660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).