[2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol

C12H18BrN3O — CID 106359094

IUPAC[2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol
SMILESNc1cc(Br)cnc1NC1CCCCC1CO
InChIInChI=1S/C12H18BrN3O/c13-9-5-10(14)12(15-6-9)16-11-4-2-1-3-8(11)7-17/h5-6,8,11,17H,1-4,7,14H2,(H,15,16)
InChIKeyNESNKDGOGJUQKX-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.39
Rot. Bonds3

About [2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol

[2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol (PubChem CID 106359094) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is [2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol
PubChem CID106359094
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name[2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol
SMILESNc1cc(Br)cnc1NC1CCCCC1CO
InChIInChI=1S/C12H18BrN3O/c13-9-5-10(14)12(15-6-9)16-11-4-2-1-3-8(11)7-17/h5-6,8,11,17H,1-4,7,14H2,(H,15,16)
InChIKeyNESNKDGOGJUQKX-UHFFFAOYSA-N
XLogP2.39
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol
CID 106362049
[2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol
CID 114179877
[2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 114178433
[2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106368178
5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine
CID 106365408
[2-[(8-aminoquinolin-4-yl)amino]cyclohexyl]methanol
CID 106359240
[2-[(5-amino-3-pyridinyl)amino]cyclopentyl]methanol
CID 106368070
[2-[(3-aminoquinoxalin-2-yl)amino]cyclohexyl]methanol
CID 106367963
5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine
CID 55185791
5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 114178774
[2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106364159
5-bromo-2-N-(1,1-dioxothian-4-yl)pyridine-2,3-diamine
CID 61227510

Frequently Asked Questions

What is the IUPAC name of [2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol (CID 106359094) is [2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol is Nc1cc(Br)cnc1NC1CCCCC1CO.
What is the InChIKey of [2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol?
The InChIKey is NESNKDGOGJUQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c13-9-5-10(14)12(15-6-9)16-11-4-2-1-3-8(11)7-17/h5-6,8,11,17H,1-4,7,14H2,(H,15,16).
What are the key properties of [2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol?
[2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol has a molecular weight of 300.20 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol is sourced from PubChem (CID 106359094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).