2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol

C14H25N5O — CID 102875864

IUPAC2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol
SMILESCC(C)(C)c1nc(NN)cc(N(CCO)C2CCC2)n1
InChIInChI=1S/C14H25N5O/c1-14(2,3)13-16-11(18-15)9-12(17-13)19(7-8-20)10-5-4-6-10/h9-10,20H,4-8,15H2,1-3H3,(H,16,17,18)
InChIKeyXCQPZRYYEFJFPT-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.41
Rot. Bonds5

About 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol

2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol (PubChem CID 102875864) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol
PubChem CID102875864
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol
SMILESCC(C)(C)c1nc(NN)cc(N(CCO)C2CCC2)n1
InChIInChI=1S/C14H25N5O/c1-14(2,3)13-16-11(18-15)9-12(17-13)19(7-8-20)10-5-4-6-10/h9-10,20H,4-8,15H2,1-3H3,(H,16,17,18)
InChIKeyXCQPZRYYEFJFPT-UHFFFAOYSA-N
XLogP1.41
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.41
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-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875677
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80960291
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80962129
2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
CID 102875846
3-[cyclobutyl-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 106776229
2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 102875838
2-[cyclopentyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80964712
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80904604
2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 102875854
2-[cyclopentyl-(6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80905074
3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 102875789
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80960352

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol?
The IUPAC name of 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol (CID 102875864) is 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol?
The canonical SMILES for 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol is CC(C)(C)c1nc(NN)cc(N(CCO)C2CCC2)n1.
What is the InChIKey of 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol?
The InChIKey is XCQPZRYYEFJFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-14(2,3)13-16-11(18-15)9-12(17-13)19(7-8-20)10-5-4-6-10/h9-10,20H,4-8,15H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol?
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol has a molecular weight of 279.39 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol is sourced from PubChem (CID 102875864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).