4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine

C12H9BrN4 — CID 10017019

IUPAC4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
InChIInChI=1S/C12H9BrN4/c13-7-1-2-10-8(5-7)9(6-16-10)11-3-4-15-12(14)17-11/h1-6,16H,(H2,14,15,17)
InChIKeyPKQJCYXKRNGUKQ-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.97
Rot. Bonds1

About 4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine

4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine (PubChem CID 10017019) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine
PubChem CID10017019
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
InChIInChI=1S/C12H9BrN4/c13-7-1-2-10-8(5-7)9(6-16-10)11-3-4-15-12(14)17-11/h1-6,16H,(H2,14,15,17)
InChIKeyPKQJCYXKRNGUKQ-UHFFFAOYSA-N
XLogP2.97
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine (CID 10017019) is 4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine is Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1.
What is the InChIKey of 4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine?
The InChIKey is PKQJCYXKRNGUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-7-1-2-10-8(5-7)9(6-16-10)11-3-4-15-12(14)17-11/h1-6,16H,(H2,14,15,17).
What are the key properties of 4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine?
4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine has a molecular weight of 289.14 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 10017019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).