3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol

C12H23N5O — CID 106289054

IUPAC3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCCC(CC)C(O)CNc1nc(NN)ncc1C
InChIInChI=1S/C12H23N5O/c1-4-9(5-2)10(18)7-14-11-8(3)6-15-12(16-11)17-13/h6,9-10,18H,4-5,7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyUGLKEVWQUWLKPM-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.28
Rot. Bonds7

About 3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol

3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 106289054) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
PubChem CID106289054
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCCC(CC)C(O)CNc1nc(NN)ncc1C
InChIInChI=1S/C12H23N5O/c1-4-9(5-2)10(18)7-14-11-8(3)6-15-12(16-11)17-13/h6,9-10,18H,4-5,7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyUGLKEVWQUWLKPM-UHFFFAOYSA-N
XLogP1.28
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol (CID 106289054) is 3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol is CCC(CC)C(O)CNc1nc(NN)ncc1C.
What is the InChIKey of 3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is UGLKEVWQUWLKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-9(5-2)10(18)7-14-11-8(3)6-15-12(16-11)17-13/h6,9-10,18H,4-5,7,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol?
3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 1.28, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 106289054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).