5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine

C13H21N3O — CID 114471200

IUPAC5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESC=C(C)CCOc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C13H21N3O/c1-8(2)6-7-17-13-10(5)11(14)15-12(16-13)9(3)4/h9H,1,6-7H2,2-5H3,(H2,14,15,16)
InChIKeyIASWLUHZJIIICV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.84
Rot. Bonds5

About 5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine

5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 114471200) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine
PubChem CID114471200
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESC=C(C)CCOc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C13H21N3O/c1-8(2)6-7-17-13-10(5)11(14)15-12(16-13)9(3)4/h9H,1,6-7H2,2-5H3,(H2,14,15,16)
InChIKeyIASWLUHZJIIICV-UHFFFAOYSA-N
XLogP2.84
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-amine?
The IUPAC name of 5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine (CID 114471200) is 5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine is C=C(C)CCOc1nc(C(C)C)nc(N)c1C.
What is the InChIKey of 5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is IASWLUHZJIIICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(2)6-7-17-13-10(5)11(14)15-12(16-13)9(3)4/h9H,1,6-7H2,2-5H3,(H2,14,15,16).
What are the key properties of 5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine?
5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 114471200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).