1-(5-bromopyrimidin-2-yl)-1-azaspiro[3.3]heptane

C10H12BrN3 — CID 127404332

IUPAC1-(5-bromopyrimidin-2-yl)-1-azaspiro[3.3]heptane
SMILESBrc1cnc(N2CCC23CCC3)nc1
InChIInChI=1S/C10H12BrN3/c11-8-6-12-9(13-7-8)14-5-4-10(14)2-1-3-10/h6-7H,1-5H2
InChIKeyMIGQJJNVWJUJRM-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.37
Rot. Bonds1

About 1-(5-bromopyrimidin-2-yl)-1-azaspiro[3.3]heptane

1-(5-bromopyrimidin-2-yl)-1-azaspiro[3.3]heptane (PubChem CID 127404332) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-1-azaspiro[3.3]heptane.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-1-azaspiro[3.3]heptane
PubChem CID127404332
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name1-(5-bromopyrimidin-2-yl)-1-azaspiro[3.3]heptane
SMILESBrc1cnc(N2CCC23CCC3)nc1
InChIInChI=1S/C10H12BrN3/c11-8-6-12-9(13-7-8)14-5-4-10(14)2-1-3-10/h6-7H,1-5H2
InChIKeyMIGQJJNVWJUJRM-UHFFFAOYSA-N
XLogP2.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-1-azaspiro[3.3]heptane?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-1-azaspiro[3.3]heptane (CID 127404332) is 1-(5-bromopyrimidin-2-yl)-1-azaspiro[3.3]heptane.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-1-azaspiro[3.3]heptane?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-1-azaspiro[3.3]heptane is Brc1cnc(N2CCC23CCC3)nc1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-1-azaspiro[3.3]heptane?
The InChIKey is MIGQJJNVWJUJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c11-8-6-12-9(13-7-8)14-5-4-10(14)2-1-3-10/h6-7H,1-5H2.
What are the key properties of 1-(5-bromopyrimidin-2-yl)-1-azaspiro[3.3]heptane?
1-(5-bromopyrimidin-2-yl)-1-azaspiro[3.3]heptane has a molecular weight of 254.13 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-1-azaspiro[3.3]heptane is sourced from PubChem (CID 127404332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).