1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol

C11H19N5O — CID 80937078

IUPAC1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
SMILESCCc1nc(NN)cc(NCC(O)C2CC2)n1
InChIInChI=1S/C11H19N5O/c1-2-9-14-10(5-11(15-9)16-12)13-6-8(17)7-3-4-7/h5,7-8,17H,2-4,6,12H2,1H3,(H2,13,14,15,16)
InChIKeyTYGYDOVEPOYHRS-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.51
Rot. Bonds6

About 1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol

1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol (PubChem CID 80937078) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
PubChem CID80937078
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
SMILESCCc1nc(NN)cc(NCC(O)C2CC2)n1
InChIInChI=1S/C11H19N5O/c1-2-9-14-10(5-11(15-9)16-12)13-6-8(17)7-3-4-7/h5,7-8,17H,2-4,6,12H2,1H3,(H2,13,14,15,16)
InChIKeyTYGYDOVEPOYHRS-UHFFFAOYSA-N
XLogP0.51
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.51
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 1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol (CID 80937078) is 1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol is CCc1nc(NN)cc(NCC(O)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol?
The InChIKey is TYGYDOVEPOYHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-9-14-10(5-11(15-9)16-12)13-6-8(17)7-3-4-7/h5,7-8,17H,2-4,6,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol?
1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol has a molecular weight of 237.31 g/mol, XLogP of 0.51, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 80937078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).