5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine

C10H15BrN4 — CID 82060945

IUPAC5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine
SMILESNc1cnc(N2CCCNCC2)c(Br)c1
InChIInChI=1S/C10H15BrN4/c11-9-6-8(12)7-14-10(9)15-4-1-2-13-3-5-15/h6-7,13H,1-5,12H2
InChIKeyABIQFCYTGDKNEG-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.23
Rot. Bonds1

About 5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine

5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine (PubChem CID 82060945) has the molecular formula C10H15BrN4 and a molecular weight of 271.16 g/mol. Its IUPAC name is 5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine
PubChem CID82060945
Molecular FormulaC10H15BrN4
Molecular Weight271.16 g/mol
Exact Mass270.05
IUPAC Name5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine
SMILESNc1cnc(N2CCCNCC2)c(Br)c1
InChIInChI=1S/C10H15BrN4/c11-9-6-8(12)7-14-10(9)15-4-1-2-13-3-5-15/h6-7,13H,1-5,12H2
InChIKeyABIQFCYTGDKNEG-UHFFFAOYSA-N
XLogP1.23
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine
CID 16740450
5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine
CID 79535102
1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride
CID 166485525
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine
CID 115558883
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-bromopyridin-3-amine
CID 79535543
5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine
CID 79535453
2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide
CID 79532624
5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine
CID 79532466
2-pyrrolidin-1-ylpyridine-3,5-diamine;hydrate;dihydrochloride
CID 21082868
ethyl 4-(5-amino-3-bromo-2-pyridinyl)piperazine-1-carboxylate
CID 107876726
6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine
CID 79530696
2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82695714

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine (CID 82060945) is 5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine is Nc1cnc(N2CCCNCC2)c(Br)c1.
What is the InChIKey of 5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine?
The InChIKey is ABIQFCYTGDKNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4/c11-9-6-8(12)7-14-10(9)15-4-1-2-13-3-5-15/h6-7,13H,1-5,12H2.
What are the key properties of 5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine?
5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine has a molecular weight of 271.16 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine is sourced from PubChem (CID 82060945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).