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

C8H7BrF2N4 — CID 126711784

IUPAC5-bromo-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Br)cn2CC(F)F
InChIInChI=1S/C8H7BrF2N4/c9-4-1-15(2-5(10)11)8-6(4)7(12)13-3-14-8/h1,3,5H,2H2,(H2,12,13,14)
InChIKeyRORMQCVFZGCUFE-UHFFFAOYSA-N
MW277.07 g/mol
LogP2.04
Rot. Bonds2

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

5-bromo-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 126711784) has the molecular formula C8H7BrF2N4 and a molecular weight of 277.07 g/mol. Its IUPAC name is 5-bromo-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID126711784
Molecular FormulaC8H7BrF2N4
Molecular Weight277.07 g/mol
Exact Mass275.98
IUPAC Name5-bromo-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Br)cn2CC(F)F
InChIInChI=1S/C8H7BrF2N4/c9-4-1-15(2-5(10)11)8-6(4)7(12)13-3-14-8/h1,3,5H,2H2,(H2,12,13,14)
InChIKeyRORMQCVFZGCUFE-UHFFFAOYSA-N
XLogP2.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-bromo-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 126711784) is 5-bromo-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(Br)cn2CC(F)F.
What is the InChIKey of 5-bromo-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is RORMQCVFZGCUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N4/c9-4-1-15(2-5(10)11)8-6(4)7(12)13-3-14-8/h1,3,5H,2H2,(H2,12,13,14).
What are the key properties of 5-bromo-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
5-bromo-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 277.07 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 126711784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).