5-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine

C11H16BrN3 — CID 130663098

IUPAC5-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine
SMILESCC(C)=CCNc1nc(C)nc(C)c1Br
InChIInChI=1S/C11H16BrN3/c1-7(2)5-6-13-11-10(12)8(3)14-9(4)15-11/h5H,6H2,1-4H3,(H,13,14,15)
InChIKeyYSZLICKPSYCGKD-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.23
Rot. Bonds3

About 5-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine

5-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine (PubChem CID 130663098) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 5-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine
PubChem CID130663098
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name5-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine
SMILESCC(C)=CCNc1nc(C)nc(C)c1Br
InChIInChI=1S/C11H16BrN3/c1-7(2)5-6-13-11-10(12)8(3)14-9(4)15-11/h5H,6H2,1-4H3,(H,13,14,15)
InChIKeyYSZLICKPSYCGKD-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine (CID 130663098) is 5-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine is CC(C)=CCNc1nc(C)nc(C)c1Br.
What is the InChIKey of 5-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine?
The InChIKey is YSZLICKPSYCGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-7(2)5-6-13-11-10(12)8(3)14-9(4)15-11/h5H,6H2,1-4H3,(H,13,14,15).
What are the key properties of 5-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine?
5-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine has a molecular weight of 270.17 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine is sourced from PubChem (CID 130663098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).