4-(6-bromoindol-1-yl)pyrimidin-2-amine

C12H9BrN4 — CID 71560541

IUPAC4-(6-bromoindol-1-yl)pyrimidin-2-amine
SMILESNc1nccc(-n2ccc3ccc(Br)cc32)n1
InChIInChI=1S/C12H9BrN4/c13-9-2-1-8-4-6-17(10(8)7-9)11-3-5-15-12(14)16-11/h1-7H,(H2,14,15,16)
InChIKeySXWPDFYGSHSGBS-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.77
Rot. Bonds1

About 4-(6-bromoindol-1-yl)pyrimidin-2-amine

4-(6-bromoindol-1-yl)pyrimidin-2-amine (PubChem CID 71560541) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 4-(6-bromoindol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-bromoindol-1-yl)pyrimidin-2-amine
PubChem CID71560541
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name4-(6-bromoindol-1-yl)pyrimidin-2-amine
SMILESNc1nccc(-n2ccc3ccc(Br)cc32)n1
InChIInChI=1S/C12H9BrN4/c13-9-2-1-8-4-6-17(10(8)7-9)11-3-5-15-12(14)16-11/h1-7H,(H2,14,15,16)
InChIKeySXWPDFYGSHSGBS-UHFFFAOYSA-N
XLogP2.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Bromophenyl)imidazo[1,2-a]pyridine
CID 623416
4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252
4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328253
Meridianin D
CID 401171
Meridianin C
CID 10017019
2-(4-Bromophenyl)imidazo(1,2-a)pyridine-3-methanamine
CID 2757120
2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine
CID 837893
N-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328243
N-(3-bromophenyl)-8-methyl-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328285
7-Methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 467889
N-(3-bromophenyl)quinazolin-4-amine
CID 735125
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoindol-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(6-bromoindol-1-yl)pyrimidin-2-amine (CID 71560541) is 4-(6-bromoindol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(6-bromoindol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(6-bromoindol-1-yl)pyrimidin-2-amine is Nc1nccc(-n2ccc3ccc(Br)cc32)n1.
What is the InChIKey of 4-(6-bromoindol-1-yl)pyrimidin-2-amine?
The InChIKey is SXWPDFYGSHSGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-9-2-1-8-4-6-17(10(8)7-9)11-3-5-15-12(14)16-11/h1-7H,(H2,14,15,16).
What are the key properties of 4-(6-bromoindol-1-yl)pyrimidin-2-amine?
4-(6-bromoindol-1-yl)pyrimidin-2-amine has a molecular weight of 289.14 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoindol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 71560541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).