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

C11H8BrN5 — CID 127049686

IUPAC5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESNc1ncc(Br)c(-c2c[nH]c3ncccc23)n1
InChIInChI=1S/C11H8BrN5/c12-8-5-16-11(13)17-9(8)7-4-15-10-6(7)2-1-3-14-10/h1-5H,(H,14,15)(H2,13,16,17)
InChIKeyVYAXOCBQWSGEIQ-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.36
Rot. Bonds1

About 5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 127049686) has the molecular formula C11H8BrN5 and a molecular weight of 290.12 g/mol. Its IUPAC name is 5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID127049686
Molecular FormulaC11H8BrN5
Molecular Weight290.12 g/mol
Exact Mass289.00
IUPAC Name5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESNc1ncc(Br)c(-c2c[nH]c3ncccc23)n1
InChIInChI=1S/C11H8BrN5/c12-8-5-16-11(13)17-9(8)7-4-15-10-6(7)2-1-3-14-10/h1-5H,(H,14,15)(H2,13,16,17)
InChIKeyVYAXOCBQWSGEIQ-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

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Related Compounds

3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 167213939
4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 25164369
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine
CID 166338323
ethane;1H-pyrrolo[2,3-b]pyridin-3-amine
CID 142426313
3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 123600339
5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
CID 69243263
4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol
CID 25164970
[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide
CID 175782488
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole
CID 163936836
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 129206992

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 127049686) is 5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is Nc1ncc(Br)c(-c2c[nH]c3ncccc23)n1.
What is the InChIKey of 5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is VYAXOCBQWSGEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5/c12-8-5-16-11(13)17-9(8)7-4-15-10-6(7)2-1-3-14-10/h1-5H,(H,14,15)(H2,13,16,17).
What are the key properties of 5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
5-bromo-4-(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 5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 127049686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).