2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol

C11H21N5O — CID 80899078

IUPAC2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
SMILESCCN(CCO)c1ncnc(NN)c1C(C)C
InChIInChI=1S/C11H21N5O/c1-4-16(5-6-17)11-9(8(2)3)10(15-12)13-7-14-11/h7-8,17H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKeyKWQMVBHXWJEILY-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.70
Rot. Bonds6

About 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol

2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol (PubChem CID 80899078) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
PubChem CID80899078
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
SMILESCCN(CCO)c1ncnc(NN)c1C(C)C
InChIInChI=1S/C11H21N5O/c1-4-16(5-6-17)11-9(8(2)3)10(15-12)13-7-14-11/h7-8,17H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKeyKWQMVBHXWJEILY-UHFFFAOYSA-N
XLogP0.70
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.70
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-[(5-amino-6-hydrazinylpyrimidin-4-yl)-ethylamino]ethanol
CID 19141155
N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80909764
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791912
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 103104506
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80898611
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80902394
N-ethyl-2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 80905620
N-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80913297
2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 80902095
N'-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 80901295
4-N-ethyl-5-propan-2-yl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80775502
2-[[5-amino-6-(ethylamino)pyrimidin-4-yl]-ethylamino]ethanol
CID 19135193

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol (CID 80899078) is 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol is CCN(CCO)c1ncnc(NN)c1C(C)C.
What is the InChIKey of 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol?
The InChIKey is KWQMVBHXWJEILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-16(5-6-17)11-9(8(2)3)10(15-12)13-7-14-11/h7-8,17H,4-6,12H2,1-3H3,(H,13,14,15).
What are the key properties of 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol?
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol has a molecular weight of 239.32 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 80899078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).