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

C12H18BrN3O — CID 62551986

IUPAC[1-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol
SMILESNc1cc(Br)cnc1NC1(CO)CCCCC1
InChIInChI=1S/C12H18BrN3O/c13-9-6-10(14)11(15-7-9)16-12(8-17)4-2-1-3-5-12/h6-7,17H,1-5,8,14H2,(H,15,16)
InChIKeyYCRMWPPJILSNCU-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.53
Rot. Bonds3

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

[1-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol (PubChem CID 62551986) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is [1-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol
PubChem CID62551986
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name[1-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol
SMILESNc1cc(Br)cnc1NC1(CO)CCCCC1
InChIInChI=1S/C12H18BrN3O/c13-9-6-10(14)11(15-7-9)16-12(8-17)4-2-1-3-5-12/h6-7,17H,1-5,8,14H2,(H,15,16)
InChIKeyYCRMWPPJILSNCU-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(5-amino-3-methyl-2-pyridinyl)amino]cyclopentyl]methanol
CID 62522773
[1-[(3-aminopyrazin-2-yl)amino]cyclohexyl]methanol
CID 102984251
[1-[(5-bromo-3-pyridinyl)amino]cyclopentyl]methanol
CID 90272593
[1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol
CID 62552151
5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile
CID 114169972
[1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 63023085
[1-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 114072202
[1-[(5-iodopyrimidin-2-yl)amino]cyclohexyl]methanol
CID 116648405
[1-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol
CID 104507954
5-bromo-2-hydrazinylpyridin-3-amine
CID 139593186
[1-[(5-amino-2-pyridinyl)amino]cyclopentyl]methanol
CID 62523964
[2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol
CID 106359094

Frequently Asked Questions

What is the IUPAC name of [1-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol?
The IUPAC name of [1-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol (CID 62551986) is [1-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol is Nc1cc(Br)cnc1NC1(CO)CCCCC1.
What is the InChIKey of [1-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol?
The InChIKey is YCRMWPPJILSNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c13-9-6-10(14)11(15-7-9)16-12(8-17)4-2-1-3-5-12/h6-7,17H,1-5,8,14H2,(H,15,16).
What are the key properties of [1-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol?
[1-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol has a molecular weight of 300.20 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol is sourced from PubChem (CID 62551986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).