4-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

C11H8BrN5 — CID 24801184

IUPAC4-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3nc(Br)ccc23)n1
InChIInChI=1S/C11H8BrN5/c12-9-2-1-6-7(5-15-10(6)17-9)8-3-4-14-11(13)16-8/h1-5H,(H,15,17)(H2,13,14,16)
InChIKeyAFELDORIFDMULD-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.36
Rot. Bonds1

About 4-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

4-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 24801184) has the molecular formula C11H8BrN5 and a molecular weight of 290.12 g/mol. Its IUPAC name is 4-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID24801184
Molecular FormulaC11H8BrN5
Molecular Weight290.12 g/mol
Exact Mass289.00
IUPAC Name4-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3nc(Br)ccc23)n1
InChIInChI=1S/C11H8BrN5/c12-9-2-1-6-7(5-15-10(6)17-9)8-3-4-14-11(13)16-8/h1-5H,(H,15,17)(H2,13,14,16)
InChIKeyAFELDORIFDMULD-UHFFFAOYSA-N
XLogP2.36
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Rolodine
CID 5359646
Meridianin D
CID 401171
Meridianin C
CID 10017019
(S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide
CID 44477445
5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135283800
3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
CID 10249182
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 10537176
4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
5-bromo-1H-pyrrolo[2,3-b]pyridine
CID 10307932
9H-Pyrido(2,3-b)indole
CID 67486
1H-Purin-6-amine, N-(2-(1H-indol-3-yl)ethyl)-
CID 165348

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 24801184) is 4-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is Nc1nccc(-c2c[nH]c3nc(Br)ccc23)n1.
What is the InChIKey of 4-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is AFELDORIFDMULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5/c12-9-2-1-6-7(5-15-10(6)17-9)8-3-4-14-11(13)16-8/h1-5H,(H,15,17)(H2,13,14,16).
What are the key properties of 4-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
4-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 290.12 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 24801184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).