5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine

C11H16BrN3 — CID 115050366

IUPAC5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine
SMILESCc1nc(NC2CCCCC2)ncc1Br
InChIInChI=1S/C11H16BrN3/c1-8-10(12)7-13-11(14-8)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,14,15)
InChIKeyOGYHGEOZLJZIJR-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.29
Rot. Bonds2

About 5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine

5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine (PubChem CID 115050366) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine
PubChem CID115050366
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine
SMILESCc1nc(NC2CCCCC2)ncc1Br
InChIInChI=1S/C11H16BrN3/c1-8-10(12)7-13-11(14-8)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,14,15)
InChIKeyOGYHGEOZLJZIJR-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine
CID 130791689
5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine
CID 130900359
5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 131122958
5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine
CID 80771027
5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine
CID 115037552
5-bromo-N-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]-4-methylpyrimidin-2-amine
CID 59744262
5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine
CID 130854686
N-cyclohexyl-6-methylquinazolin-2-amine
CID 156833151
N-cycloheptyl-6-methylquinazolin-2-amine
CID 176973176
5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine
CID 130987156
N-cyclohexyl-4-methylquinazolin-2-amine
CID 118714792
1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone
CID 71668637

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine (CID 115050366) is 5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine is Cc1nc(NC2CCCCC2)ncc1Br.
What is the InChIKey of 5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine?
The InChIKey is OGYHGEOZLJZIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-8-10(12)7-13-11(14-8)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine?
5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine has a molecular weight of 270.17 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine is sourced from PubChem (CID 115050366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).