2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol

C11H19N5O — CID 102875846

IUPAC2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
SMILESCc1nc(NN)cc(N(CCO)C2CCC2)n1
InChIInChI=1S/C11H19N5O/c1-8-13-10(15-12)7-11(14-8)16(5-6-17)9-3-2-4-9/h7,9,17H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyIWYRUQBEYMWRFL-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.42
Rot. Bonds5

About 2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol

2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol (PubChem CID 102875846) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
PubChem CID102875846
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
SMILESCc1nc(NN)cc(N(CCO)C2CCC2)n1
InChIInChI=1S/C11H19N5O/c1-8-13-10(15-12)7-11(14-8)16(5-6-17)9-3-2-4-9/h7,9,17H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyIWYRUQBEYMWRFL-UHFFFAOYSA-N
XLogP0.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.42
H-Bond Donors ≤ 53
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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Related Compounds

2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 102875669
2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 102875838
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102875864
2-[cyclopentyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80964712
2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80809845
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80904604
2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80787099
N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80895719
2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 102875854
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382
2-[cyclopentyl-(6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80905074
3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 102875789

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol (CID 102875846) is 2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol is Cc1nc(NN)cc(N(CCO)C2CCC2)n1.
What is the InChIKey of 2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol?
The InChIKey is IWYRUQBEYMWRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8-13-10(15-12)7-11(14-8)16(5-6-17)9-3-2-4-9/h7,9,17H,2-6,12H2,1H3,(H,13,14,15).
What are the key properties of 2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol?
2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol has a molecular weight of 237.31 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 102875846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).