N-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine

C11H14BrN3 — CID 130934708

IUPACN-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine
SMILESBrc1cncnc1NC1C2CCCCC21
InChIInChI=1S/C11H14BrN3/c12-9-5-13-6-14-11(9)15-10-7-3-1-2-4-8(7)10/h5-8,10H,1-4H2,(H,13,14,15)
InChIKeyMHPGPVCAZHYEOS-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.84
Rot. Bonds2

About N-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine

N-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine (PubChem CID 130934708) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is N-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine
PubChem CID130934708
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC NameN-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine
SMILESBrc1cncnc1NC1C2CCCCC21
InChIInChI=1S/C11H14BrN3/c12-9-5-13-6-14-11(9)15-10-7-3-1-2-4-8(7)10/h5-8,10H,1-4H2,(H,13,14,15)
InChIKeyMHPGPVCAZHYEOS-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine?
The IUPAC name of N-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine (CID 130934708) is N-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine.
What is the SMILES notation for N-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine?
The canonical SMILES for N-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine is Brc1cncnc1NC1C2CCCCC21.
What is the InChIKey of N-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine?
The InChIKey is MHPGPVCAZHYEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c12-9-5-13-6-14-11(9)15-10-7-3-1-2-4-8(7)10/h5-8,10H,1-4H2,(H,13,14,15).
What are the key properties of N-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine?
N-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine has a molecular weight of 268.16 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine is sourced from PubChem (CID 130934708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).