5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C6H5BrN4 — CID 5491797

IUPAC5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2[nH]cc(Br)c12
InChIInChI=1S/C6H5BrN4/c7-3-1-9-6-4(3)5(8)10-2-11-6/h1-2H,(H3,8,9,10,11)
InChIKeyXBMGMUJNRRQVIR-UHFFFAOYSA-N
MW213.04 g/mol
LogP1.30
Rot. Bonds

About 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 5491797) has the molecular formula C6H5BrN4 and a molecular weight of 213.04 g/mol. Its IUPAC name is 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID5491797
Molecular FormulaC6H5BrN4
Molecular Weight213.04 g/mol
Exact Mass211.97
IUPAC Name5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2[nH]cc(Br)c12
InChIInChI=1S/C6H5BrN4/c7-3-1-9-6-4(3)5(8)10-2-11-6/h1-2H,(H3,8,9,10,11)
InChIKeyXBMGMUJNRRQVIR-UHFFFAOYSA-N
XLogP1.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 5491797) is 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2[nH]cc(Br)c12.
What is the InChIKey of 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is XBMGMUJNRRQVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4/c7-3-1-9-6-4(3)5(8)10-2-11-6/h1-2H,(H3,8,9,10,11).
What are the key properties of 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 213.04 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 5491797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).