5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine

C11H14BrN5 — CID 164579497

IUPAC5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Br)cn2C1CCNCC1
InChIInChI=1S/C11H14BrN5/c12-8-5-17(7-1-3-14-4-2-7)11-9(8)10(13)15-6-16-11/h5-7,14H,1-4H2,(H2,13,15,16)
InChIKeyDPZKEPVYNZLLPC-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.70
Rot. Bonds1

About 5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine

5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 164579497) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID164579497
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Br)cn2C1CCNCC1
InChIInChI=1S/C11H14BrN5/c12-8-5-17(7-1-3-14-4-2-7)11-9(8)10(13)15-6-16-11/h5-7,14H,1-4H2,(H2,13,15,16)
InChIKeyDPZKEPVYNZLLPC-UHFFFAOYSA-N
XLogP1.70
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 118024637
2-methylpropyl 4-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate
CID 67384385
4-[3-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]benzaldehyde
CID 163239288
3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611389
[(2S,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol;ethane
CID 145263983
ethane;3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611388
5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine
CID 162364990
tert-butyl formate;5-(4-phenoxyphenyl)-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 174760975
N'-[[3-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-N-(2-phenylethyl)propane-1,3-diamine
CID 167461823
1-[4-[4-amino-7-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-3-methylurea
CID 156857432
(2R,3R,4S,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 155745123
7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54434264

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 164579497) is 5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(Br)cn2C1CCNCC1.
What is the InChIKey of 5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DPZKEPVYNZLLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c12-8-5-17(7-1-3-14-4-2-7)11-9(8)10(13)15-6-16-11/h5-7,14H,1-4H2,(H2,13,15,16).
What are the key properties of 5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine?
5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 296.17 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164579497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).