N-(2-bromoethyl)-N-ethylpyrido[2,3-b]pyrazin-6-amine

C11H13BrN4 — CID 80672504

IUPACN-(2-bromoethyl)-N-ethylpyrido[2,3-b]pyrazin-6-amine
SMILESCCN(CCBr)c1ccc2nccnc2n1
InChIInChI=1S/C11H13BrN4/c1-2-16(8-5-12)10-4-3-9-11(15-10)14-7-6-13-9/h3-4,6-7H,2,5,8H2,1H3
InChIKeyGRZXFIMUHQMHER-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.25
Rot. Bonds4

About N-(2-bromoethyl)-N-ethylpyrido[2,3-b]pyrazin-6-amine

N-(2-bromoethyl)-N-ethylpyrido[2,3-b]pyrazin-6-amine (PubChem CID 80672504) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-ethylpyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-ethylpyrido[2,3-b]pyrazin-6-amine
PubChem CID80672504
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC NameN-(2-bromoethyl)-N-ethylpyrido[2,3-b]pyrazin-6-amine
SMILESCCN(CCBr)c1ccc2nccnc2n1
InChIInChI=1S/C11H13BrN4/c1-2-16(8-5-12)10-4-3-9-11(15-10)14-7-6-13-9/h3-4,6-7H,2,5,8H2,1H3
InChIKeyGRZXFIMUHQMHER-UHFFFAOYSA-N
XLogP2.25
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine
CID 80674401
N-(3-bromopropyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine
CID 80675116
N-propyl-N-(pyrrolidin-2-ylmethyl)pyrido[2,3-b]pyrazin-6-amine
CID 106619672
N-(2-bromoethyl)-N-ethylpyridazin-3-amine
CID 80672402
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 133361407
N-(2-bromoethyl)-N-ethyl-2,6-dimethylpyrimidin-4-amine
CID 80673540
6-methylpyrido[2,3-b]pyrazine
CID 10419316
N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide
CID 133303906
2-[ethyl(pyridin-2-yl)amino]ethyl-dimethylazanium
CID 5232343
4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80775087
1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol
CID 78955195
6-chloro-N-ethyl-N-propyl-1,8-naphthyridin-2-amine
CID 139316259

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-ethylpyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-(2-bromoethyl)-N-ethylpyrido[2,3-b]pyrazin-6-amine (CID 80672504) is N-(2-bromoethyl)-N-ethylpyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-ethylpyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-(2-bromoethyl)-N-ethylpyrido[2,3-b]pyrazin-6-amine is CCN(CCBr)c1ccc2nccnc2n1.
What is the InChIKey of N-(2-bromoethyl)-N-ethylpyrido[2,3-b]pyrazin-6-amine?
The InChIKey is GRZXFIMUHQMHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-2-16(8-5-12)10-4-3-9-11(15-10)14-7-6-13-9/h3-4,6-7H,2,5,8H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-ethylpyrido[2,3-b]pyrazin-6-amine?
N-(2-bromoethyl)-N-ethylpyrido[2,3-b]pyrazin-6-amine has a molecular weight of 281.16 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-ethylpyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 80672504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).