2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol

C11H21N5O — CID 80937626

IUPAC2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCCc1nc(NN)cc(NC(C)(CC)CO)n1
InChIInChI=1S/C11H21N5O/c1-4-8-13-9(6-10(14-8)16-12)15-11(3,5-2)7-17/h6,17H,4-5,7,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyABRRMHXPRRAADN-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.90
Rot. Bonds6

About 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol

2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol (PubChem CID 80937626) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
PubChem CID80937626
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCCc1nc(NN)cc(NC(C)(CC)CO)n1
InChIInChI=1S/C11H21N5O/c1-4-8-13-9(6-10(14-8)16-12)15-11(3,5-2)7-17/h6,17H,4-5,7,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyABRRMHXPRRAADN-UHFFFAOYSA-N
XLogP0.90
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.90
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 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol (CID 80937626) is 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol is CCc1nc(NN)cc(NC(C)(CC)CO)n1.
What is the InChIKey of 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The InChIKey is ABRRMHXPRRAADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-8-13-9(6-10(14-8)16-12)15-11(3,5-2)7-17/h6,17H,4-5,7,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 0.90, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 80937626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).