2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol

C11H17BrN4O — CID 114072871

IUPAC2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESNc1ncnc(N2CCCC(CCO)C2)c1Br
InChIInChI=1S/C11H17BrN4O/c12-9-10(13)14-7-15-11(9)16-4-1-2-8(6-16)3-5-17/h7-8,17H,1-6H2,(H2,13,14,15)
InChIKeyFROGKMUPARUXRU-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.42
Rot. Bonds3

About 2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol

2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol (PubChem CID 114072871) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol
PubChem CID114072871
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESNc1ncnc(N2CCCC(CCO)C2)c1Br
InChIInChI=1S/C11H17BrN4O/c12-9-10(13)14-7-15-11(9)16-4-1-2-8(6-16)3-5-17/h7-8,17H,1-6H2,(H2,13,14,15)
InChIKeyFROGKMUPARUXRU-UHFFFAOYSA-N
XLogP1.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
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2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
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2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 105370226
2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 62357139
2-[1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]ethanol
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2-[1-(5-amino-3-methyl-2-pyridinyl)piperidin-3-yl]ethanol
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2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 105367514
2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol
CID 107229306
2-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol
CID 65274887
2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 114072620
2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol
CID 107229189
2-[1-(2-amino-4-pyridinyl)piperidin-3-yl]ethanol
CID 107229186

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol (CID 114072871) is 2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol is Nc1ncnc(N2CCCC(CCO)C2)c1Br.
What is the InChIKey of 2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol?
The InChIKey is FROGKMUPARUXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c12-9-10(13)14-7-15-11(9)16-4-1-2-8(6-16)3-5-17/h7-8,17H,1-6H2,(H2,13,14,15).
What are the key properties of 2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol?
2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol has a molecular weight of 301.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 114072871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).