5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine

C14H16BrN5O — CID 152621698

IUPAC5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine
SMILESNc1ncc(Br)nc1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H16BrN5O/c15-12-9-17-13(16)14(19-12)18-10-1-3-11(4-2-10)20-5-7-21-8-6-20/h1-4,9H,5-8H2,(H2,16,17)(H,18,19)
InChIKeyZBQUFGAAFXESQG-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.40
Rot. Bonds3

About 5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine

5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine (PubChem CID 152621698) has the molecular formula C14H16BrN5O and a molecular weight of 350.22 g/mol. Its IUPAC name is 5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine
PubChem CID152621698
Molecular FormulaC14H16BrN5O
Molecular Weight350.22 g/mol
Exact Mass349.05
IUPAC Name5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine
SMILESNc1ncc(Br)nc1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H16BrN5O/c15-12-9-17-13(16)14(19-12)18-10-1-3-11(4-2-10)20-5-7-21-8-6-20/h1-4,9H,5-8H2,(H2,16,17)(H,18,19)
InChIKeyZBQUFGAAFXESQG-UHFFFAOYSA-N
XLogP2.40
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 80811982
5-bromo-3-N-phenylpyrazine-2,3-diamine
CID 139077006
3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 114837087
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine
CID 64624123
(5-bromo-3-morpholin-4-ylpyrazin-2-yl)hydrazine
CID 89417145
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
CID 58786809
4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine
CID 68613505
4-morpholin-4-yl-N-phenylaniline
CID 159018746
ethyl 6-bromo-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-2-carboxylate
CID 162352132
(4-morpholin-4-ylphenyl)hydrazine;hydrochloride
CID 69411327
5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile
CID 71418634

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine?
The IUPAC name of 5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine (CID 152621698) is 5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine.
What is the SMILES notation for 5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine?
The canonical SMILES for 5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine is Nc1ncc(Br)nc1Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine?
The InChIKey is ZBQUFGAAFXESQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O/c15-12-9-17-13(16)14(19-12)18-10-1-3-11(4-2-10)20-5-7-21-8-6-20/h1-4,9H,5-8H2,(H2,16,17)(H,18,19).
What are the key properties of 5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine?
5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine has a molecular weight of 350.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine is sourced from PubChem (CID 152621698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).