[2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol

C11H17BrN4O — CID 114179877

IUPAC[2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESNc1ncnc(NC2CCCCC2CO)c1Br
InChIInChI=1S/C11H17BrN4O/c12-9-10(13)14-6-15-11(9)16-8-4-2-1-3-7(8)5-17/h6-8,17H,1-5H2,(H3,13,14,15,16)
InChIKeyKBUYEOMCFAGAJM-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.78
Rot. Bonds3

About [2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol

[2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol (PubChem CID 114179877) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is [2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol
PubChem CID114179877
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name[2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESNc1ncnc(NC2CCCCC2CO)c1Br
InChIInChI=1S/C11H17BrN4O/c12-9-10(13)14-6-15-11(9)16-8-4-2-1-3-7(8)5-17/h6-8,17H,1-5H2,(H3,13,14,15,16)
InChIKeyKBUYEOMCFAGAJM-UHFFFAOYSA-N
XLogP1.78
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol with MolForge

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Related Compounds

[2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol
CID 106359094
5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 114071933
[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 113344395
[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106364141
[(1S,2S)-2-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cycloheptyl]methanol
CID 97009674
[(1S,2R)-2-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cycloheptyl]methanol
CID 97009673
[2-[(3-aminoquinoxalin-2-yl)amino]cyclohexyl]methanol
CID 106367963
4-chloro-6-[[2-(hydroxymethyl)cyclohexyl]amino]pyrimidine-5-carbaldehyde
CID 114179129
[2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 114178433
[2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106368178
[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106368118
[2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol
CID 106361969

Frequently Asked Questions

What is the IUPAC name of [2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol (CID 114179877) is [2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol is Nc1ncnc(NC2CCCCC2CO)c1Br.
What is the InChIKey of [2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol?
The InChIKey is KBUYEOMCFAGAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c12-9-10(13)14-6-15-11(9)16-8-4-2-1-3-7(8)5-17/h6-8,17H,1-5H2,(H3,13,14,15,16).
What are the key properties of [2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol?
[2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol has a molecular weight of 301.19 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 114179877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).