1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol

C14H27N5O — CID 81006589

IUPAC1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1nc(C(C)(C)C)nc(NN)c1C
InChIInChI=1S/C14H27N5O/c1-7-14(6,20)8-16-10-9(2)11(19-15)18-12(17-10)13(3,4)5/h20H,7-8,15H2,1-6H3,(H2,16,17,18,19)
InChIKeyOJACDKNPOIHIII-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.94
Rot. Bonds5

About 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol

1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol (PubChem CID 81006589) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol
PubChem CID81006589
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1nc(C(C)(C)C)nc(NN)c1C
InChIInChI=1S/C14H27N5O/c1-7-14(6,20)8-16-10-9(2)11(19-15)18-12(17-10)13(3,4)5/h20H,7-8,15H2,1-6H3,(H2,16,17,18,19)
InChIKeyOJACDKNPOIHIII-UHFFFAOYSA-N
XLogP1.94
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.94
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

2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 114944808
2-tert-butyl-N-(3-ethylpentan-3-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007026
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 81006921
methyl 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
CID 81000583
1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 114150415
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 81007643
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 81001260
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 81006696
2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol
CID 114164988
1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 80993004
2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 81006283
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80995102

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol (CID 81006589) is 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol is CCC(C)(O)CNc1nc(C(C)(C)C)nc(NN)c1C.
What is the InChIKey of 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The InChIKey is OJACDKNPOIHIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-7-14(6,20)8-16-10-9(2)11(19-15)18-12(17-10)13(3,4)5/h20H,7-8,15H2,1-6H3,(H2,16,17,18,19).
What are the key properties of 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol?
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 81006589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).