5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine

C14H12BrN5 — CID 142789806

IUPAC5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine
SMILESNc1nc(Br)c(Cc2ccc3ncccc3c2)nc1N
InChIInChI=1S/C14H12BrN5/c15-12-11(19-13(16)14(17)20-12)7-8-3-4-10-9(6-8)2-1-5-18-10/h1-6H,7H2,(H2,16,19)(H2,17,20)
InChIKeyRBXHICPFCALMEX-UHFFFAOYSA-N
MW330.19 g/mol
LogP2.54
Rot. Bonds2

About 5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine

5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine (PubChem CID 142789806) has the molecular formula C14H12BrN5 and a molecular weight of 330.19 g/mol. Its IUPAC name is 5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine
PubChem CID142789806
Molecular FormulaC14H12BrN5
Molecular Weight330.19 g/mol
Exact Mass329.03
IUPAC Name5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine
SMILESNc1nc(Br)c(Cc2ccc3ncccc3c2)nc1N
InChIInChI=1S/C14H12BrN5/c15-12-11(19-13(16)14(17)20-12)7-8-3-4-10-9(6-8)2-1-5-18-10/h1-6H,7H2,(H2,16,19)(H2,17,20)
InChIKeyRBXHICPFCALMEX-UHFFFAOYSA-N
XLogP2.54
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(quinolin-6-ylmethyl)pyridin-2-amine
CID 81223845
6-(2-bromoethyl)quinoline
CID 68811984
5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine
CID 103098719
2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline
CID 63180873
6-(2-chloroethyl)quinoline
CID 53404433
6-bromo-2-(quinolin-6-ylmethyl)-1H-pyrazine-2,3-diamine
CID 142789805
2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine
CID 61369413
[1-(quinolin-6-ylmethyl)cyclopropyl]methanamine
CID 116997369
6-[(3-methoxyphenyl)methyl]quinoline
CID 172878073
4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline
CID 43458332
4-methyl-1-quinolin-6-ylpentan-3-amine
CID 81224108
6-[(2,5-dimethylphenyl)methyl]quinoline
CID 156905634

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine?
The IUPAC name of 5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine (CID 142789806) is 5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine.
What is the SMILES notation for 5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine?
The canonical SMILES for 5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine is Nc1nc(Br)c(Cc2ccc3ncccc3c2)nc1N.
What is the InChIKey of 5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine?
The InChIKey is RBXHICPFCALMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5/c15-12-11(19-13(16)14(17)20-12)7-8-3-4-10-9(6-8)2-1-5-18-10/h1-6H,7H2,(H2,16,19)(H2,17,20).
What are the key properties of 5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine?
5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine has a molecular weight of 330.19 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine is sourced from PubChem (CID 142789806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).