3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol

C14H27N5O2 — CID 106118665

IUPAC3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1cc(NN)nc(COCC)n1
InChIInChI=1S/C14H27N5O2/c1-3-5-11(6-7-20)9-16-12-8-13(19-15)18-14(17-12)10-21-4-2/h8,11,20H,3-7,9-10,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyKYYFHCSCDPPOGJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.51
Rot. Bonds11

About 3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol

3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol (PubChem CID 106118665) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol
PubChem CID106118665
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1cc(NN)nc(COCC)n1
InChIInChI=1S/C14H27N5O2/c1-3-5-11(6-7-20)9-16-12-8-13(19-15)18-14(17-12)10-21-4-2/h8,11,20H,3-7,9-10,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyKYYFHCSCDPPOGJ-UHFFFAOYSA-N
XLogP1.51
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol
CID 107854990
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
3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145568
2-(ethoxymethyl)-6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106294436
3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 114143246
1-(dimethylamino)-3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 106150364
3-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145570
5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324083
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80947904
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115719
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine
CID 106379040

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol (CID 106118665) is 3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol is CCCC(CCO)CNc1cc(NN)nc(COCC)n1.
What is the InChIKey of 3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol?
The InChIKey is KYYFHCSCDPPOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-3-5-11(6-7-20)9-16-12-8-13(19-15)18-14(17-12)10-21-4-2/h8,11,20H,3-7,9-10,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol?
3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol has a molecular weight of 297.40 g/mol, XLogP of 1.51, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol is sourced from PubChem (CID 106118665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).