5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine

C11H14BrN3 — CID 130900359

IUPAC5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine
SMILESCc1nc(NC2CC=CCC2)ncc1Br
InChIInChI=1S/C11H14BrN3/c1-8-10(12)7-13-11(14-8)15-9-5-3-2-4-6-9/h2-3,7,9H,4-6H2,1H3,(H,13,14,15)
InChIKeyFHBALAAIITWFLM-UHFFFAOYSA-N
MW268.16 g/mol
LogP3.07
Rot. Bonds2

About 5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine

5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine (PubChem CID 130900359) 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-yl-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine
PubChem CID130900359
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine
SMILESCc1nc(NC2CC=CCC2)ncc1Br
InChIInChI=1S/C11H14BrN3/c1-8-10(12)7-13-11(14-8)15-9-5-3-2-4-6-9/h2-3,7,9H,4-6H2,1H3,(H,13,14,15)
InChIKeyFHBALAAIITWFLM-UHFFFAOYSA-N
XLogP3.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine
CID 115050366
N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine
CID 130791689
5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 131122958
ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate
CID 83178577
N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine
CID 104843859
5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine
CID 130540607
5-bromo-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine
CID 131154421
3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine
CID 114835973
2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine
CID 79176344
5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine
CID 130854686
5-bromo-N-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]-4-methylpyrimidin-2-amine
CID 59744262
5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine
CID 115037552

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine (CID 130900359) is 5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine is Cc1nc(NC2CC=CCC2)ncc1Br.
What is the InChIKey of 5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine?
The InChIKey is FHBALAAIITWFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-8-10(12)7-13-11(14-8)15-9-5-3-2-4-6-9/h2-3,7,9H,4-6H2,1H3,(H,13,14,15).
What are the key properties of 5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine?
5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine has a molecular weight of 268.16 g/mol, XLogP of 3.07, 2 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-yl-4-methylpyrimidin-2-amine is sourced from PubChem (CID 130900359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).