[1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol

C14H22BrN3O — CID 104507130

IUPAC[1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
SMILESCc1c(N)cnc(NCC2(CO)CCCCC2)c1Br
InChIInChI=1S/C14H22BrN3O/c1-10-11(16)7-17-13(12(10)15)18-8-14(9-19)5-3-2-4-6-14/h7,19H,2-6,8-9,16H2,1H3,(H,17,18)
InChIKeyXYVXWYWRMCLIOR-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.09
Rot. Bonds4

About [1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol

[1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol (PubChem CID 104507130) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is [1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
PubChem CID104507130
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name[1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
SMILESCc1c(N)cnc(NCC2(CO)CCCCC2)c1Br
InChIInChI=1S/C14H22BrN3O/c1-10-11(16)7-17-13(12(10)15)18-8-14(9-19)5-3-2-4-6-14/h7,19H,2-6,8-9,16H2,1H3,(H,17,18)
InChIKeyXYVXWYWRMCLIOR-UHFFFAOYSA-N
XLogP3.09
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

[1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968719
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
[1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 103968689
[1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968793
[1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 114836032
5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile
CID 103468880
[1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 115454140
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 104506759
[1-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968751
[1-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 103965461
[1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968693
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol
CID 104507039

Frequently Asked Questions

What is the IUPAC name of [1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol (CID 104507130) is [1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol is Cc1c(N)cnc(NCC2(CO)CCCCC2)c1Br.
What is the InChIKey of [1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol?
The InChIKey is XYVXWYWRMCLIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-10-11(16)7-17-13(12(10)15)18-8-14(9-19)5-3-2-4-6-14/h7,19H,2-6,8-9,16H2,1H3,(H,17,18).
What are the key properties of [1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol?
[1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol has a molecular weight of 328.25 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 104507130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).