[6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine

C13H24N4O — CID 80923447

IUPAC[6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1c(NN)ncnc1OCCC(C)(C)C
InChIInChI=1S/C13H24N4O/c1-9(2)10-11(17-14)15-8-16-12(10)18-7-6-13(3,4)5/h8-9H,6-7,14H2,1-5H3,(H,15,16,17)
InChIKeyAYGYQHMGRLUHAW-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.70
Rot. Bonds5

About [6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine

[6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 80923447) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is [6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID80923447
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name[6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1c(NN)ncnc1OCCC(C)(C)C
InChIInChI=1S/C13H24N4O/c1-9(2)10-11(17-14)15-8-16-12(10)18-7-6-13(3,4)5/h8-9H,6-7,14H2,1-5H3,(H,15,16,17)
InChIKeyAYGYQHMGRLUHAW-UHFFFAOYSA-N
XLogP2.70
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-methyl-5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794977
N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80930410
(6-but-3-yn-2-yloxy-5-propan-2-ylpyrimidin-4-yl)hydrazine
CID 106795707
[6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80924460
[6-(2-chloro-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114264432
6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine
CID 80902452
5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 82958852
6-hydrazinyl-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 102701988
6-but-3-enoxy-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80861071
6-hydrazinyl-N,5-di(propan-2-yl)pyrimidin-4-amine
CID 80932454
[6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80924618
N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine
CID 114471166

Frequently Asked Questions

What is the IUPAC name of [6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine (CID 80923447) is [6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine is CC(C)c1c(NN)ncnc1OCCC(C)(C)C.
What is the InChIKey of [6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is AYGYQHMGRLUHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)10-11(17-14)15-8-16-12(10)18-7-6-13(3,4)5/h8-9H,6-7,14H2,1-5H3,(H,15,16,17).
What are the key properties of [6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 252.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80923447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).