N-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptan-2-amine

C10H13BrN4 — CID 140701282

IUPACN-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptan-2-amine
SMILESBrc1cnc(NC2CC3CCC2N3)nc1
InChIInChI=1S/C10H13BrN4/c11-6-4-12-10(13-5-6)15-9-3-7-1-2-8(9)14-7/h4-5,7-9,14H,1-3H2,(H,12,13,15)
InChIKeyMJDKIUYNZIBYPY-UHFFFAOYSA-N
MW269.15 g/mol
LogP1.54
Rot. Bonds2

About N-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptan-2-amine

N-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptan-2-amine (PubChem CID 140701282) has the molecular formula C10H13BrN4 and a molecular weight of 269.15 g/mol. Its IUPAC name is N-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptan-2-amine
PubChem CID140701282
Molecular FormulaC10H13BrN4
Molecular Weight269.15 g/mol
Exact Mass268.03
IUPAC NameN-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptan-2-amine
SMILESBrc1cnc(NC2CC3CCC2N3)nc1
InChIInChI=1S/C10H13BrN4/c11-6-4-12-10(13-5-6)15-9-3-7-1-2-8(9)14-7/h4-5,7-9,14H,1-3H2,(H,12,13,15)
InChIKeyMJDKIUYNZIBYPY-UHFFFAOYSA-N
XLogP1.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromoimidazo[1,2-a]pyrazin-8-amine
CID 90412581
5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine
CID 95972202
5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
CID 106996112
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(3-bromophenyl)-1,3-thiazole-2-carboxamide
CID 70027522
5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671858
5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 63872650
N-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine
CID 67234945
5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine
CID 63874176
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-chloro-5-hydroxypyridine-2-carboxamide
CID 23598720
N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-bromopyrimidin-2-amine
CID 86769592
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide
CID 90708250
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-bromophenyl)-1,3-thiazole-5-carboxamide
CID 18534894

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptan-2-amine (CID 140701282) is N-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptan-2-amine is Brc1cnc(NC2CC3CCC2N3)nc1.
What is the InChIKey of N-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptan-2-amine?
The InChIKey is MJDKIUYNZIBYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4/c11-6-4-12-10(13-5-6)15-9-3-7-1-2-8(9)14-7/h4-5,7-9,14H,1-3H2,(H,12,13,15).
What are the key properties of N-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptan-2-amine?
N-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptan-2-amine has a molecular weight of 269.15 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 140701282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).