4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol

C12H23N5O — CID 80968241

IUPAC4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol
SMILESCC(O)CCNc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C12H23N5O/c1-8(18)5-6-14-9-7-10(17-13)16-11(15-9)12(2,3)4/h7-8,18H,5-6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyBOGVSOHJSHHOSX-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.24
Rot. Bonds5

About 4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol

4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol (PubChem CID 80968241) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol
PubChem CID80968241
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol
SMILESCC(O)CCNc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C12H23N5O/c1-8(18)5-6-14-9-7-10(17-13)16-11(15-9)12(2,3)4/h7-8,18H,5-6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyBOGVSOHJSHHOSX-UHFFFAOYSA-N
XLogP1.24
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.24
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'}

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Related Compounds

4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80958459
4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80968898
methyl 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80964160
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179473
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80963892
(2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80968489
6-hydrazinyl-2-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80932318
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326
6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine
CID 80969046
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967240
6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106776163
3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 80963806

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol?
The IUPAC name of 4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol (CID 80968241) is 4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol is CC(O)CCNc1cc(NN)nc(C(C)(C)C)n1.
What is the InChIKey of 4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol?
The InChIKey is BOGVSOHJSHHOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-8(18)5-6-14-9-7-10(17-13)16-11(15-9)12(2,3)4/h7-8,18H,5-6,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol?
4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 80968241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).