2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol

C11H19N5O2 — CID 102875852

IUPAC2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol
SMILESCOc1c(NN)ncnc1N(CCO)C1CCC1
InChIInChI=1S/C11H19N5O2/c1-18-9-10(15-12)13-7-14-11(9)16(5-6-17)8-3-2-4-8/h7-8,17H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyRJLLITPXTSVTQB-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.12
Rot. Bonds6

About 2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol

2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol (PubChem CID 102875852) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol
PubChem CID102875852
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol
SMILESCOc1c(NN)ncnc1N(CCO)C1CCC1
InChIInChI=1S/C11H19N5O2/c1-18-9-10(15-12)13-7-14-11(9)16(5-6-17)8-3-2-4-8/h7-8,17H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyRJLLITPXTSVTQB-UHFFFAOYSA-N
XLogP0.12
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.12
H-Bond Donors ≤ 53
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

2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol
CID 80904987
N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-5-methoxypyrimidin-4-amine
CID 107403222
2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810290
5-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107207623
2-[cyclopentyl-(6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80905074
2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102859630
2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol
CID 65336641
2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102865911
2-[cyclobutyl-(3-methoxy-2-pyridinyl)amino]ethanol
CID 102869021
N-[2-(6-hydrazinyl-5-methoxypyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine
CID 102741485
2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 54999057
2-[cyclobutyl-[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 102875668

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol (CID 102875852) is 2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol is COc1c(NN)ncnc1N(CCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol?
The InChIKey is RJLLITPXTSVTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-18-9-10(15-12)13-7-14-11(9)16(5-6-17)8-3-2-4-8/h7-8,17H,2-6,12H2,1H3,(H,13,14,15).
What are the key properties of 2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol?
2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol has a molecular weight of 253.31 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 102875852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).