N-(3-bromopropyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine

C13H17BrN4 — CID 80675116

IUPACN-(3-bromopropyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine
SMILESCC(C)N(CCCBr)c1ccc2nccnc2n1
InChIInChI=1S/C13H17BrN4/c1-10(2)18(9-3-6-14)12-5-4-11-13(17-12)16-8-7-15-11/h4-5,7-8,10H,3,6,9H2,1-2H3
InChIKeyVNAQHJBWTZPRDH-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.02
Rot. Bonds5

About N-(3-bromopropyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine

N-(3-bromopropyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine (PubChem CID 80675116) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine
PubChem CID80675116
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC NameN-(3-bromopropyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine
SMILESCC(C)N(CCCBr)c1ccc2nccnc2n1
InChIInChI=1S/C13H17BrN4/c1-10(2)18(9-3-6-14)12-5-4-11-13(17-12)16-8-7-15-11/h4-5,7-8,10H,3,6,9H2,1-2H3
InChIKeyVNAQHJBWTZPRDH-UHFFFAOYSA-N
XLogP3.02
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N-(3-bromopropyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-(3-bromopropyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine (CID 80675116) is N-(3-bromopropyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-(3-bromopropyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-(3-bromopropyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine is CC(C)N(CCCBr)c1ccc2nccnc2n1.
What is the InChIKey of N-(3-bromopropyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine?
The InChIKey is VNAQHJBWTZPRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-10(2)18(9-3-6-14)12-5-4-11-13(17-12)16-8-7-15-11/h4-5,7-8,10H,3,6,9H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine?
N-(3-bromopropyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine has a molecular weight of 309.21 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 80675116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).