1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol

C14H27N5O — CID 106294502

IUPAC1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C14H27N5O/c1-6-7-14(5,20)9-16-10-8-11(19-15)18-12(17-10)13(2,3)4/h8,20H,6-7,9,15H2,1-5H3,(H2,16,17,18,19)
InChIKeyYMIWWQDSSPUOKL-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.02
Rot. Bonds6

About 1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol

1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol (PubChem CID 106294502) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
PubChem CID106294502
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C14H27N5O/c1-6-7-14(5,20)9-16-10-8-11(19-15)18-12(17-10)13(2,3)4/h8,20H,6-7,9,15H2,1-5H3,(H2,16,17,18,19)
InChIKeyYMIWWQDSSPUOKL-UHFFFAOYSA-N
XLogP2.02
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.02
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

1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293540
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol
CID 106294581
1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106256542
1-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 80937784
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296295
3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80937785
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169930
1-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296296
1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249072
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326
1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 114169926
1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293545

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol (CID 106294502) is 1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1cc(NN)nc(C(C)(C)C)n1.
What is the InChIKey of 1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The InChIKey is YMIWWQDSSPUOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-6-7-14(5,20)9-16-10-8-11(19-15)18-12(17-10)13(2,3)4/h8,20H,6-7,9,15H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.02, 6 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-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106294502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).