5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine

C11H14BrN3 — CID 66320647

IUPAC5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine
SMILESBrc1cncnc1NCC1CC=CCC1
InChIInChI=1S/C11H14BrN3/c12-10-7-13-8-15-11(10)14-6-9-4-2-1-3-5-9/h1-2,7-9H,3-6H2,(H,13,14,15)
InChIKeyQVFIRIRREWIQKF-UHFFFAOYSA-N
MW268.16 g/mol
LogP3.01
Rot. Bonds3

About 5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine

5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine (PubChem CID 66320647) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine
PubChem CID66320647
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine
SMILESBrc1cncnc1NCC1CC=CCC1
InChIInChI=1S/C11H14BrN3/c12-10-7-13-8-15-11(10)14-6-9-4-2-1-3-5-9/h1-2,7-9H,3-6H2,(H,13,14,15)
InChIKeyQVFIRIRREWIQKF-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 53.01
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-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine (CID 66320647) is 5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine is Brc1cncnc1NCC1CC=CCC1.
What is the InChIKey of 5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine?
The InChIKey is QVFIRIRREWIQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c12-10-7-13-8-15-11(10)14-6-9-4-2-1-3-5-9/h1-2,7-9H,3-6H2,(H,13,14,15).
What are the key properties of 5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine?
5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine has a molecular weight of 268.16 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66320647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).