[4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine

C9H14N4O — CID 114471298

IUPAC[4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine
SMILESC=C(C)CCOc1ccnc(NN)n1
InChIInChI=1S/C9H14N4O/c1-7(2)4-6-14-8-3-5-11-9(12-8)13-10/h3,5H,1,4,6,10H2,2H3,(H,11,12,13)
InChIKeyJZTCEOQPOMVQAA-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.11
Rot. Bonds5

About [4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine

[4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine (PubChem CID 114471298) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is [4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine
PubChem CID114471298
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name[4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine
SMILESC=C(C)CCOc1ccnc(NN)n1
InChIInChI=1S/C9H14N4O/c1-7(2)4-6-14-8-3-5-11-9(12-8)13-10/h3,5H,1,4,6,10H2,2H3,(H,11,12,13)
InChIKeyJZTCEOQPOMVQAA-UHFFFAOYSA-N
XLogP1.11
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine
CID 80909283
[4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine
CID 80922595
(4-heptoxypyrimidin-2-yl)hydrazine
CID 80910870
[4-[2-(2-methoxyethoxy)ethoxy]pyrimidin-2-yl]hydrazine
CID 104568494
(4-pent-4-enoxypyrimidin-2-yl)hydrazine
CID 80923088
N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
CID 115506033
[6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine
CID 114471277
[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine
CID 80913888
N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine
CID 114470605
[2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine
CID 114471271
3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80865476
2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine
CID 114470537

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine (CID 114471298) is [4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine is C=C(C)CCOc1ccnc(NN)n1.
What is the InChIKey of [4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is JZTCEOQPOMVQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7(2)4-6-14-8-3-5-11-9(12-8)13-10/h3,5H,1,4,6,10H2,2H3,(H,11,12,13).
What are the key properties of [4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine?
[4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 194.24 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114471298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).