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

C12H18BrN3O — CID 106364093

IUPAC[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESCCc1nc(Br)cc(NC2CCCC2CO)n1
InChIInChI=1S/C12H18BrN3O/c1-2-11-15-10(13)6-12(16-11)14-9-5-3-4-8(9)7-17/h6,8-9,17H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyLFCGNPRNHYWFJQ-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.37
Rot. Bonds4

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

[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol (PubChem CID 106364093) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol
PubChem CID106364093
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESCCc1nc(Br)cc(NC2CCCC2CO)n1
InChIInChI=1S/C12H18BrN3O/c1-2-11-15-10(13)6-12(16-11)14-9-5-3-4-8(9)7-17/h6,8-9,17H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyLFCGNPRNHYWFJQ-UHFFFAOYSA-N
XLogP2.37
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106364158
[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 104924452
[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106368406
[2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106367984
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 114179859
[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol
CID 133472380
6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 104963516
[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
2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80934612
2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid
CID 106361779
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80934405

Frequently Asked Questions

What is the IUPAC name of [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The IUPAC name of [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol (CID 106364093) is [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol is CCc1nc(Br)cc(NC2CCCC2CO)n1.
What is the InChIKey of [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The InChIKey is LFCGNPRNHYWFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-2-11-15-10(13)6-12(16-11)14-9-5-3-4-8(9)7-17/h6,8-9,17H,2-5,7H2,1H3,(H,14,15,16).
What are the key properties of [2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol?
[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol has a molecular weight of 300.20 g/mol, XLogP of 2.37, 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]cyclopentyl]methanol is sourced from PubChem (CID 106364093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).