6-bromo-2-(quinolin-6-ylmethyl)-1H-pyrazine-2,3-diamine

C14H14BrN5 — CID 142789805

IUPAC6-bromo-2-(quinolin-6-ylmethyl)-1H-pyrazine-2,3-diamine
SMILESNC1=NC=C(Br)NC1(N)Cc1ccc2ncccc2c1
InChIInChI=1S/C14H14BrN5/c15-12-8-19-13(16)14(17,20-12)7-9-3-4-11-10(6-9)2-1-5-18-11/h1-6,8,20H,7,17H2,(H2,16,19)
InChIKeyZANJNLVJNJTTJP-UHFFFAOYSA-N
MW332.21 g/mol
LogP1.59
Rot. Bonds2

About 6-bromo-2-(quinolin-6-ylmethyl)-1H-pyrazine-2,3-diamine

6-bromo-2-(quinolin-6-ylmethyl)-1H-pyrazine-2,3-diamine (PubChem CID 142789805) has the molecular formula C14H14BrN5 and a molecular weight of 332.21 g/mol. Its IUPAC name is 6-bromo-2-(quinolin-6-ylmethyl)-1H-pyrazine-2,3-diamine.

Molecular Properties

Compound Name6-bromo-2-(quinolin-6-ylmethyl)-1H-pyrazine-2,3-diamine
PubChem CID142789805
Molecular FormulaC14H14BrN5
Molecular Weight332.21 g/mol
Exact Mass331.04
IUPAC Name6-bromo-2-(quinolin-6-ylmethyl)-1H-pyrazine-2,3-diamine
SMILESNC1=NC=C(Br)NC1(N)Cc1ccc2ncccc2c1
InChIInChI=1S/C14H14BrN5/c15-12-8-19-13(16)14(17,20-12)7-9-3-4-11-10(6-9)2-1-5-18-11/h1-6,8,20H,7,17H2,(H2,16,19)
InChIKeyZANJNLVJNJTTJP-UHFFFAOYSA-N
XLogP1.59
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-nitro-2-(quinolin-6-ylmethyl)-1H-pyridine-2,4-diamine
CID 142792758
[1-(quinolin-6-ylmethyl)cyclopropyl]methanamine
CID 116997369
5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine
CID 142789806
1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid
CID 79425635
6-(2-bromoethyl)quinoline
CID 68811984
5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one
CID 104687440
bis(6-bromoquinoline);hydrate
CID 174834691
3-(quinolin-6-ylmethyl)pyridin-2-amine
CID 81223845
5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine
CID 103098719
1-(quinolin-6-ylmethoxymethyl)cyclopentan-1-amine
CID 64573735
6-(2-chloroethyl)quinoline
CID 53404433
6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline
CID 104688379

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(quinolin-6-ylmethyl)-1H-pyrazine-2,3-diamine?
The IUPAC name of 6-bromo-2-(quinolin-6-ylmethyl)-1H-pyrazine-2,3-diamine (CID 142789805) is 6-bromo-2-(quinolin-6-ylmethyl)-1H-pyrazine-2,3-diamine.
What is the SMILES notation for 6-bromo-2-(quinolin-6-ylmethyl)-1H-pyrazine-2,3-diamine?
The canonical SMILES for 6-bromo-2-(quinolin-6-ylmethyl)-1H-pyrazine-2,3-diamine is NC1=NC=C(Br)NC1(N)Cc1ccc2ncccc2c1.
What is the InChIKey of 6-bromo-2-(quinolin-6-ylmethyl)-1H-pyrazine-2,3-diamine?
The InChIKey is ZANJNLVJNJTTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5/c15-12-8-19-13(16)14(17,20-12)7-9-3-4-11-10(6-9)2-1-5-18-11/h1-6,8,20H,7,17H2,(H2,16,19).
What are the key properties of 6-bromo-2-(quinolin-6-ylmethyl)-1H-pyrazine-2,3-diamine?
6-bromo-2-(quinolin-6-ylmethyl)-1H-pyrazine-2,3-diamine has a molecular weight of 332.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(quinolin-6-ylmethyl)-1H-pyrazine-2,3-diamine is sourced from PubChem (CID 142789805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).