5-bromo-6-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine

C10H11BrClN3 — CID 106195428

IUPAC5-bromo-6-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine
SMILESClc1ncnc(NC2CC=CCC2)c1Br
InChIInChI=1S/C10H11BrClN3/c11-8-9(12)13-6-14-10(8)15-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H,13,14,15)
InChIKeyKKCGWWABLAVHMD-UHFFFAOYSA-N
MW288.58 g/mol
LogP3.41
Rot. Bonds2

About 5-bromo-6-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine

5-bromo-6-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine (PubChem CID 106195428) has the molecular formula C10H11BrClN3 and a molecular weight of 288.58 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine
PubChem CID106195428
Molecular FormulaC10H11BrClN3
Molecular Weight288.58 g/mol
Exact Mass286.98
IUPAC Name5-bromo-6-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine
SMILESClc1ncnc(NC2CC=CCC2)c1Br
InChIInChI=1S/C10H11BrClN3/c11-8-9(12)13-6-14-10(8)15-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H,13,14,15)
InChIKeyKKCGWWABLAVHMD-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.58
LogP ≤ 53.41
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-6-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine (CID 106195428) is 5-bromo-6-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine is Clc1ncnc(NC2CC=CCC2)c1Br.
What is the InChIKey of 5-bromo-6-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine?
The InChIKey is KKCGWWABLAVHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3/c11-8-9(12)13-6-14-10(8)15-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H,13,14,15).
What are the key properties of 5-bromo-6-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine?
5-bromo-6-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine has a molecular weight of 288.58 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine is sourced from PubChem (CID 106195428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).