N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine

C11H14BrN3 — CID 130791689

IUPACN-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine
SMILESCc1nc(NC2CC3CC3C2)ncc1Br
InChIInChI=1S/C11H14BrN3/c1-6-10(12)5-13-11(14-6)15-9-3-7-2-8(7)4-9/h5,7-9H,2-4H2,1H3,(H,13,14,15)
InChIKeyFFNUSARQVUJFOP-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.76
Rot. Bonds2

About N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine

N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine (PubChem CID 130791689) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine
PubChem CID130791689
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC NameN-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine
SMILESCc1nc(NC2CC3CC3C2)ncc1Br
InChIInChI=1S/C11H14BrN3/c1-6-10(12)5-13-11(14-6)15-9-3-7-2-8(7)4-9/h5,7-9H,2-4H2,1H3,(H,13,14,15)
InChIKeyFFNUSARQVUJFOP-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine
CID 115050366
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-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine
CID 130854686
1-N-(5-bromo-4-methoxypyrimidin-2-yl)cyclobutane-1,3-diamine
CID 106998056
5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine
CID 115037552
5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine
CID 130821715
N-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine
CID 131080680
5-bromo-N-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]-4-methylpyrimidin-2-amine
CID 59744262
5-bromo-2-cyclopropyl-4-methylpyrimidine
CID 82374731
N-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide
CID 67280006
5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine
CID 130987156

Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine?
The IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine (CID 130791689) is N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine?
The canonical SMILES for N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine is Cc1nc(NC2CC3CC3C2)ncc1Br.
What is the InChIKey of N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine?
The InChIKey is FFNUSARQVUJFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-6-10(12)5-13-11(14-6)15-9-3-7-2-8(7)4-9/h5,7-9H,2-4H2,1H3,(H,13,14,15).
What are the key properties of N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine?
N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine has a molecular weight of 268.16 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine is sourced from PubChem (CID 130791689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).