[2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine

C11H18N4O2 — CID 114471271

IUPAC[2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine
SMILESC=C(C)CCOc1cc(NN)nc(COC)n1
InChIInChI=1S/C11H18N4O2/c1-8(2)4-5-17-11-6-9(15-12)13-10(14-11)7-16-3/h6H,1,4-5,7,12H2,2-3H3,(H,13,14,15)
InChIKeyLQHUQGYHQCZZNI-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.25
Rot. Bonds7

About [2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine

[2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine (PubChem CID 114471271) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is [2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine
PubChem CID114471271
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name[2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine
SMILESC=C(C)CCOc1cc(NN)nc(COC)n1
InChIInChI=1S/C11H18N4O2/c1-8(2)4-5-17-11-6-9(15-12)13-10(14-11)7-16-3/h6H,1,4-5,7,12H2,2-3H3,(H,13,14,15)
InChIKeyLQHUQGYHQCZZNI-UHFFFAOYSA-N
XLogP1.25
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
CID 114471242
[6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine
CID 114471277
6-(2-methoxyethoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456721
N-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456727
2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 113401645
6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456633
[4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine
CID 114471298
2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
CID 114471097
2-(6-hydrazinyl-2-propylpyrimidin-4-yl)oxy-N,N-dimethylethanamine
CID 80947210
N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine
CID 82456662
[6-[2-(3-methoxypropoxy)ethoxy]-2-propylpyrimidin-4-yl]hydrazine
CID 103176595
(6-ethoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80947198

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine (CID 114471271) is [2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine is C=C(C)CCOc1cc(NN)nc(COC)n1.
What is the InChIKey of [2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is LQHUQGYHQCZZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(2)4-5-17-11-6-9(15-12)13-10(14-11)7-16-3/h6H,1,4-5,7,12H2,2-3H3,(H,13,14,15).
What are the key properties of [2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine?
[2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 238.29 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 114471271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).