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

C11H16BrN3O — CID 79531530

IUPAC4-[(5-amino-3-bromo-2-pyridinyl)amino]cyclohexan-1-ol
SMILESNc1cnc(NC2CCC(O)CC2)c(Br)c1
InChIInChI=1S/C11H16BrN3O/c12-10-5-7(13)6-14-11(10)15-8-1-3-9(16)4-2-8/h5-6,8-9,16H,1-4,13H2,(H,14,15)
InChIKeyRIRNRUFFIVJNDX-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.14
Rot. Bonds2

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

4-[(5-amino-3-bromo-2-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 79531530) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-[(5-amino-3-bromo-2-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-amino-3-bromo-2-pyridinyl)amino]cyclohexan-1-ol
PubChem CID79531530
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name4-[(5-amino-3-bromo-2-pyridinyl)amino]cyclohexan-1-ol
SMILESNc1cnc(NC2CCC(O)CC2)c(Br)c1
InChIInChI=1S/C11H16BrN3O/c12-10-5-7(13)6-14-11(10)15-8-1-3-9(16)4-2-8/h5-6,8-9,16H,1-4,13H2,(H,14,15)
InChIKeyRIRNRUFFIVJNDX-UHFFFAOYSA-N
XLogP2.14
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-bromo-2-N-cyclobutylpyridine-2,5-diamine
CID 79535634
3-bromo-2-N-(oxolan-3-yl)pyridine-2,5-diamine
CID 80716678
3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine
CID 79532045
3-bromo-2-N-(2-methylcyclopropyl)pyridine-2,5-diamine
CID 79534274
3-bromo-N-cyclobutyl-5-methylpyridin-2-amine
CID 105366896
2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide
CID 18446516
4-[(3-amino-5-bromo-4-pyridinyl)amino]cyclohexan-1-ol
CID 103517535
4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 64587470
N-(5-amino-3-bromo-2-pyridinyl)-2-cyclobutylacetamide
CID 103161641
4-(4-amino-2,6-difluoroanilino)cyclohexan-1-ol
CID 54902753
3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine
CID 105366729
5-amino-2-(cyclopentylamino)pyridine-3-carbonitrile
CID 60922873

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-3-bromo-2-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-amino-3-bromo-2-pyridinyl)amino]cyclohexan-1-ol (CID 79531530) is 4-[(5-amino-3-bromo-2-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-amino-3-bromo-2-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-amino-3-bromo-2-pyridinyl)amino]cyclohexan-1-ol is Nc1cnc(NC2CCC(O)CC2)c(Br)c1.
What is the InChIKey of 4-[(5-amino-3-bromo-2-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is RIRNRUFFIVJNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c12-10-5-7(13)6-14-11(10)15-8-1-3-9(16)4-2-8/h5-6,8-9,16H,1-4,13H2,(H,14,15).
What are the key properties of 4-[(5-amino-3-bromo-2-pyridinyl)amino]cyclohexan-1-ol?
4-[(5-amino-3-bromo-2-pyridinyl)amino]cyclohexan-1-ol has a molecular weight of 286.17 g/mol, XLogP of 2.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-3-bromo-2-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 79531530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).