7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane

C10H12BrN3 — CID 131198946

IUPAC7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane
SMILESBrc1cnc(N2C3CCC2CC3)nc1
InChIInChI=1S/C10H12BrN3/c11-7-5-12-10(13-6-7)14-8-1-2-9(14)4-3-8/h5-6,8-9H,1-4H2
InChIKeyDQOVVPYZMXELTN-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.37
Rot. Bonds1

About 7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane

7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane (PubChem CID 131198946) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane
PubChem CID131198946
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane
SMILESBrc1cnc(N2C3CCC2CC3)nc1
InChIInChI=1S/C10H12BrN3/c11-7-5-12-10(13-6-7)14-8-1-2-9(14)4-3-8/h5-6,8-9H,1-4H2
InChIKeyDQOVVPYZMXELTN-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 7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane (CID 131198946) is 7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane is Brc1cnc(N2C3CCC2CC3)nc1.
What is the InChIKey of 7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is DQOVVPYZMXELTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c11-7-5-12-10(13-6-7)14-8-1-2-9(14)4-3-8/h5-6,8-9H,1-4H2.
What are the key properties of 7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane?
7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]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 7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 131198946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).