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

C13H25N5O2 — CID 107854990

IUPAC6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol
SMILESCCOCc1nc(NN)cc(NCCCCCCO)n1
InChIInChI=1S/C13H25N5O2/c1-2-20-10-13-16-11(9-12(17-13)18-14)15-7-5-3-4-6-8-19/h9,19H,2-8,10,14H2,1H3,(H2,15,16,17,18)
InChIKeyCWCAPAXPQBRUMP-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.26
Rot. Bonds11

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

6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol (PubChem CID 107854990) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol
PubChem CID107854990
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol
SMILESCCOCc1nc(NN)cc(NCCCCCCO)n1
InChIInChI=1S/C13H25N5O2/c1-2-20-10-13-16-11(9-12(17-13)18-14)15-7-5-3-4-6-8-19/h9,19H,2-8,10,14H2,1H3,(H2,15,16,17,18)
InChIKeyCWCAPAXPQBRUMP-UHFFFAOYSA-N
XLogP1.26
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.26
H-Bond Donors ≤ 54
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'}

Analyze 6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol with MolForge

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Related Compounds

5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324083
6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855025
3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118665
2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424697
3-[2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311903
3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 114143246
6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 114009544
6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324238
2-(ethoxymethyl)-6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106043508
2-[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 80937148
1-(dimethylamino)-3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 106150364

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol?
The IUPAC name of 6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol (CID 107854990) is 6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol?
The canonical SMILES for 6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol is CCOCc1nc(NN)cc(NCCCCCCO)n1.
What is the InChIKey of 6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol?
The InChIKey is CWCAPAXPQBRUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-2-20-10-13-16-11(9-12(17-13)18-14)15-7-5-3-4-6-8-19/h9,19H,2-8,10,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol?
6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol has a molecular weight of 283.38 g/mol, XLogP of 1.26, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol is sourced from PubChem (CID 107854990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).