5-bromo-3-N-phenylpyrazine-2,3-diamine

C10H9BrN4 — CID 139077006

IUPAC5-bromo-3-N-phenylpyrazine-2,3-diamine
SMILESNc1ncc(Br)nc1Nc1ccccc1
InChIInChI=1S/C10H9BrN4/c11-8-6-13-9(12)10(15-8)14-7-4-2-1-3-5-7/h1-6H,(H2,12,13)(H,14,15)
InChIKeyFLKWDQLLFHBBBA-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.56
Rot. Bonds2

About 5-bromo-3-N-phenylpyrazine-2,3-diamine

5-bromo-3-N-phenylpyrazine-2,3-diamine (PubChem CID 139077006) has the molecular formula C10H9BrN4 and a molecular weight of 265.11 g/mol. Its IUPAC name is 5-bromo-3-N-phenylpyrazine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-3-N-phenylpyrazine-2,3-diamine
PubChem CID139077006
Molecular FormulaC10H9BrN4
Molecular Weight265.11 g/mol
Exact Mass264.00
IUPAC Name5-bromo-3-N-phenylpyrazine-2,3-diamine
SMILESNc1ncc(Br)nc1Nc1ccccc1
InChIInChI=1S/C10H9BrN4/c11-8-6-13-9(12)10(15-8)14-7-4-2-1-3-5-7/h1-6H,(H2,12,13)(H,14,15)
InChIKeyFLKWDQLLFHBBBA-UHFFFAOYSA-N
XLogP2.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-phenylpyrazine-2,3-diamine
CID 91037057
2-bromo-4-N-phenylpyrimidine-4,5-diamine
CID 87114632
5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine
CID 152621698
5-bromo-3-N-(1H-indol-4-yl)pyrazine-2,3-diamine
CID 87270720
4-bromobenzenethiol;3-N-phenylquinoxaline-2,3-diamine
CID 145495804
7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine
CID 1111682
5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 2844516
5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine
CID 86661943
3-chloro-2-N-phenylpyridine-2,5-diamine
CID 82472496
2-N-phenylpyridine-2,5-diamine
CID 3015331
5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 104609431
5-N-methyl-2-N-phenylpyrimidine-2,4,5-triamine
CID 175235509

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-N-phenylpyrazine-2,3-diamine?
The IUPAC name of 5-bromo-3-N-phenylpyrazine-2,3-diamine (CID 139077006) is 5-bromo-3-N-phenylpyrazine-2,3-diamine.
What is the SMILES notation for 5-bromo-3-N-phenylpyrazine-2,3-diamine?
The canonical SMILES for 5-bromo-3-N-phenylpyrazine-2,3-diamine is Nc1ncc(Br)nc1Nc1ccccc1.
What is the InChIKey of 5-bromo-3-N-phenylpyrazine-2,3-diamine?
The InChIKey is FLKWDQLLFHBBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4/c11-8-6-13-9(12)10(15-8)14-7-4-2-1-3-5-7/h1-6H,(H2,12,13)(H,14,15).
What are the key properties of 5-bromo-3-N-phenylpyrazine-2,3-diamine?
5-bromo-3-N-phenylpyrazine-2,3-diamine has a molecular weight of 265.11 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-N-phenylpyrazine-2,3-diamine is sourced from PubChem (CID 139077006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).