7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C19H18BrN7O2 — CID 69279534

IUPAC7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(N2CC3CC2CN3Cc2ccc(Br)o2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C19H18BrN7O2/c20-15-4-3-13(29-15)10-25-8-12-6-11(25)9-26(12)16-7-17-22-18(14-2-1-5-28-14)24-27(17)19(21)23-16/h1-5,7,11-12H,6,8-10H2,(H2,21,23)
InChIKeyWMSSKZNYZNSRMX-UHFFFAOYSA-N
MW456.30 g/mol
LogP2.79
Rot. Bonds4

About 7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 69279534) has the molecular formula C19H18BrN7O2 and a molecular weight of 456.30 g/mol. Its IUPAC name is 7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID69279534
Molecular FormulaC19H18BrN7O2
Molecular Weight456.30 g/mol
Exact Mass455.07
IUPAC Name7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(N2CC3CC2CN3Cc2ccc(Br)o2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C19H18BrN7O2/c20-15-4-3-13(29-15)10-25-8-12-6-11(25)9-26(12)16-7-17-22-18(14-2-1-5-28-14)24-27(17)19(21)23-16/h1-5,7,11-12H,6,8-10H2,(H2,21,23)
InChIKeyWMSSKZNYZNSRMX-UHFFFAOYSA-N
XLogP2.79
TPSA101.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 69279534) is 7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(N2CC3CC2CN3Cc2ccc(Br)o2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of 7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is WMSSKZNYZNSRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN7O2/c20-15-4-3-13(29-15)10-25-8-12-6-11(25)9-26(12)16-7-17-22-18(14-2-1-5-28-14)24-27(17)19(21)23-16/h1-5,7,11-12H,6,8-10H2,(H2,21,23).
What are the key properties of 7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 456.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 69279534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).