[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol

C13H20BrN3O — CID 106364158

IUPAC[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESCCc1nc(Br)cc(NC2CCCCC2CO)n1
InChIInChI=1S/C13H20BrN3O/c1-2-12-16-11(14)7-13(17-12)15-10-6-4-3-5-9(10)8-18/h7,9-10,18H,2-6,8H2,1H3,(H,15,16,17)
InChIKeyWEKXKIYIAGYVOY-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.76
Rot. Bonds4

About [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol

[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol (PubChem CID 106364158) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
PubChem CID106364158
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESCCc1nc(Br)cc(NC2CCCCC2CO)n1
InChIInChI=1S/C13H20BrN3O/c1-2-12-16-11(14)7-13(17-12)15-10-6-4-3-5-9(10)8-18/h7,9-10,18H,2-6,8H2,1H3,(H,15,16,17)
InChIKeyWEKXKIYIAGYVOY-UHFFFAOYSA-N
XLogP2.76
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol with MolForge

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Related Compounds

[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 106364093
[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106368406
[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 104924452
[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol
CID 133472380
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368257
[(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol
CID 97223315
6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 104963516
[2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106367984
2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80934612
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80934405
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 114179859
2-ethyl-6-N-methyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80933606

Frequently Asked Questions

What is the IUPAC name of [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol (CID 106364158) is [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol is CCc1nc(Br)cc(NC2CCCCC2CO)n1.
What is the InChIKey of [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol?
The InChIKey is WEKXKIYIAGYVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-2-12-16-11(14)7-13(17-12)15-10-6-4-3-5-9(10)8-18/h7,9-10,18H,2-6,8H2,1H3,(H,15,16,17).
What are the key properties of [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol?
[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol has a molecular weight of 314.23 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 106364158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).