2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol

C12H18BrN3O — CID 104506749

IUPAC2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol
SMILESCc1c(N)cnc(NC2CCCCC2O)c1Br
InChIInChI=1S/C12H18BrN3O/c1-7-8(14)6-15-12(11(7)13)16-9-4-2-3-5-10(9)17/h6,9-10,17H,2-5,14H2,1H3,(H,15,16)
InChIKeyBHTOGQZKJAVFAO-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.45
Rot. Bonds2

About 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol

2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 104506749) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol
PubChem CID104506749
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol
SMILESCc1c(N)cnc(NC2CCCCC2O)c1Br
InChIInChI=1S/C12H18BrN3O/c1-7-8(14)6-15-12(11(7)13)16-9-4-2-3-5-10(9)17/h6,9-10,17H,2-5,14H2,1H3,(H,15,16)
InChIKeyBHTOGQZKJAVFAO-UHFFFAOYSA-N
XLogP2.45
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine
CID 104506459
3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine
CID 104506924
3-bromo-4-methyl-2-N-(4-propylcyclohexyl)pyridine-2,5-diamine
CID 104506588
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919271
3-bromo-4-methyl-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,5-diamine
CID 104507129
3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine
CID 113420486
2-[(3-methylpyrazin-2-yl)amino]cyclopentan-1-ol
CID 127002045
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919191
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
[1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 104507130
trans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol
CID 156865350
5-amino-2-[(2-hydroxycyclohexyl)amino]pyridine-3-carboxamide
CID 62359222

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol (CID 104506749) is 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol is Cc1c(N)cnc(NC2CCCCC2O)c1Br.
What is the InChIKey of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is BHTOGQZKJAVFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-7-8(14)6-15-12(11(7)13)16-9-4-2-3-5-10(9)17/h6,9-10,17H,2-5,14H2,1H3,(H,15,16).
What are the key properties of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol?
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol has a molecular weight of 300.20 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 104506749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).