(6-but-3-yn-2-yloxy-5-propan-2-ylpyrimidin-4-yl)hydrazine

C11H16N4O — CID 106795707

IUPAC(6-but-3-yn-2-yloxy-5-propan-2-ylpyrimidin-4-yl)hydrazine
SMILESC#CC(C)Oc1ncnc(NN)c1C(C)C
InChIInChI=1S/C11H16N4O/c1-5-8(4)16-11-9(7(2)3)10(15-12)13-6-14-11/h1,6-8H,12H2,2-4H3,(H,13,14,15)
InChIKeyUZOQMBCYMQPFHF-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.29
Rot. Bonds4

About (6-but-3-yn-2-yloxy-5-propan-2-ylpyrimidin-4-yl)hydrazine

(6-but-3-yn-2-yloxy-5-propan-2-ylpyrimidin-4-yl)hydrazine (PubChem CID 106795707) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (6-but-3-yn-2-yloxy-5-propan-2-ylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(6-but-3-yn-2-yloxy-5-propan-2-ylpyrimidin-4-yl)hydrazine
PubChem CID106795707
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(6-but-3-yn-2-yloxy-5-propan-2-ylpyrimidin-4-yl)hydrazine
SMILESC#CC(C)Oc1ncnc(NN)c1C(C)C
InChIInChI=1S/C11H16N4O/c1-5-8(4)16-11-9(7(2)3)10(15-12)13-6-14-11/h1,6-8H,12H2,2-4H3,(H,13,14,15)
InChIKeyUZOQMBCYMQPFHF-UHFFFAOYSA-N
XLogP1.29
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.29
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80923447
6-but-3-yn-2-yloxy-N-methyl-5-propylpyrimidin-4-amine
CID 106795427
6-hydrazinyl-N,5-di(propan-2-yl)pyrimidin-4-amine
CID 80932454
[6-(3-chloro-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116691466
[5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80910696
[6-[(2-methyl-3-pyridinyl)oxy]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80923375
[6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80916000
[6-(3-methoxycyclohexyl)oxy-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80925378
[6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80924460
[6-(2-methoxy-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80909009
2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83027639
N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80930410

Frequently Asked Questions

What is the IUPAC name of (6-but-3-yn-2-yloxy-5-propan-2-ylpyrimidin-4-yl)hydrazine?
The IUPAC name of (6-but-3-yn-2-yloxy-5-propan-2-ylpyrimidin-4-yl)hydrazine (CID 106795707) is (6-but-3-yn-2-yloxy-5-propan-2-ylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (6-but-3-yn-2-yloxy-5-propan-2-ylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (6-but-3-yn-2-yloxy-5-propan-2-ylpyrimidin-4-yl)hydrazine is C#CC(C)Oc1ncnc(NN)c1C(C)C.
What is the InChIKey of (6-but-3-yn-2-yloxy-5-propan-2-ylpyrimidin-4-yl)hydrazine?
The InChIKey is UZOQMBCYMQPFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-5-8(4)16-11-9(7(2)3)10(15-12)13-6-14-11/h1,6-8H,12H2,2-4H3,(H,13,14,15).
What are the key properties of (6-but-3-yn-2-yloxy-5-propan-2-ylpyrimidin-4-yl)hydrazine?
(6-but-3-yn-2-yloxy-5-propan-2-ylpyrimidin-4-yl)hydrazine has a molecular weight of 220.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-but-3-yn-2-yloxy-5-propan-2-ylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 106795707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).