7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine

C13H15Br2N3 — CID 113394590

IUPAC7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine
SMILESCC(C)N(CCBr)c1ccnc2cc(Br)cnc12
InChIInChI=1S/C13H15Br2N3/c1-9(2)18(6-4-14)12-3-5-16-11-7-10(15)8-17-13(11)12/h3,5,7-9H,4,6H2,1-2H3
InChIKeyUNRKTBYBWCJNNR-UHFFFAOYSA-N
MW373.09 g/mol
LogP4.00
Rot. Bonds4

About 7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine

7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine (PubChem CID 113394590) has the molecular formula C13H15Br2N3 and a molecular weight of 373.09 g/mol. Its IUPAC name is 7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine
PubChem CID113394590
Molecular FormulaC13H15Br2N3
Molecular Weight373.09 g/mol
Exact Mass370.96
IUPAC Name7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine
SMILESCC(C)N(CCBr)c1ccnc2cc(Br)cnc12
InChIInChI=1S/C13H15Br2N3/c1-9(2)18(6-4-14)12-3-5-16-11-7-10(15)8-17-13(11)12/h3,5,7-9H,4,6H2,1-2H3
InChIKeyUNRKTBYBWCJNNR-UHFFFAOYSA-N
XLogP4.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.09
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine (CID 113394590) is 7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine is CC(C)N(CCBr)c1ccnc2cc(Br)cnc12.
What is the InChIKey of 7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine?
The InChIKey is UNRKTBYBWCJNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3/c1-9(2)18(6-4-14)12-3-5-16-11-7-10(15)8-17-13(11)12/h3,5,7-9H,4,6H2,1-2H3.
What are the key properties of 7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine?
7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine has a molecular weight of 373.09 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine is sourced from PubChem (CID 113394590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).