[5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine

C13H22N4O — CID 114471275

IUPAC[5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESC=C(C)CCOc1nc(C(C)C)nc(NN)c1C
InChIInChI=1S/C13H22N4O/c1-8(2)6-7-18-13-10(5)12(17-14)15-11(16-13)9(3)4/h9H,1,6-7,14H2,2-5H3,(H,15,16,17)
InChIKeyHRNPOMGJNDKBJL-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.54
Rot. Bonds6

About [5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine

[5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 114471275) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID114471275
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESC=C(C)CCOc1nc(C(C)C)nc(NN)c1C
InChIInChI=1S/C13H22N4O/c1-8(2)6-7-18-13-10(5)12(17-14)15-11(16-13)9(3)4/h9H,1,6-7,14H2,2-5H3,(H,15,16,17)
InChIKeyHRNPOMGJNDKBJL-UHFFFAOYSA-N
XLogP2.54
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.54
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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Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine (CID 114471275) is [5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine is C=C(C)CCOc1nc(C(C)C)nc(NN)c1C.
What is the InChIKey of [5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is HRNPOMGJNDKBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8(2)6-7-18-13-10(5)12(17-14)15-11(16-13)9(3)4/h9H,1,6-7,14H2,2-5H3,(H,15,16,17).
What are the key properties of [5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
[5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 250.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 114471275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).