5-bromo-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C8H8BrFN4 — CID 175450495

IUPAC5-bromo-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Br)cn2CCF
InChIInChI=1S/C8H8BrFN4/c9-5-3-14(2-1-10)8-6(5)7(11)12-4-13-8/h3-4H,1-2H2,(H2,11,12,13)
InChIKeyYURDQUWRFAIWTK-UHFFFAOYSA-N
MW259.08 g/mol
LogP1.75
Rot. Bonds2

About 5-bromo-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine

5-bromo-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 175450495) has the molecular formula C8H8BrFN4 and a molecular weight of 259.08 g/mol. Its IUPAC name is 5-bromo-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID175450495
Molecular FormulaC8H8BrFN4
Molecular Weight259.08 g/mol
Exact Mass257.99
IUPAC Name5-bromo-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Br)cn2CCF
InChIInChI=1S/C8H8BrFN4/c9-5-3-14(2-1-10)8-6(5)7(11)12-4-13-8/h3-4H,1-2H2,(H2,11,12,13)
InChIKeyYURDQUWRFAIWTK-UHFFFAOYSA-N
XLogP1.75
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)ethyl]carbamate
CID 118063270
5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 164579497
7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 68784661
(2R,3R,4S,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 155745123
5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 161037296
[(2S,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol;ethane
CID 145263983
5-iodo-7-prop-2-ynylpyrrolo[2,3-d]pyrimidin-4-amine
CID 134518834
4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 169213123
5-bromo-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 118024637
1-bromo-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
CID 162718026
5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 138465830
4-amino-8-ethylpyrido[2,3-d]pyrimidin-5-one
CID 163553264

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-bromo-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 175450495) is 5-bromo-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(Br)cn2CCF.
What is the InChIKey of 5-bromo-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YURDQUWRFAIWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN4/c9-5-3-14(2-1-10)8-6(5)7(11)12-4-13-8/h3-4H,1-2H2,(H2,11,12,13).
What are the key properties of 5-bromo-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
5-bromo-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 259.08 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 175450495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).