N-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C12H9BrN4 — CID 57045449

IUPACN-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESBrc1cccc(Nc2ncnc3[nH]ccc23)c1
InChIInChI=1S/C12H9BrN4/c13-8-2-1-3-9(6-8)17-12-10-4-5-14-11(10)15-7-16-12/h1-7H,(H2,14,15,16,17)
InChIKeyCGTJZAKCIVQOPI-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.46
Rot. Bonds2

About N-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 57045449) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is N-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID57045449
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC NameN-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESBrc1cccc(Nc2ncnc3[nH]ccc23)c1
InChIInChI=1S/C12H9BrN4/c13-8-2-1-3-9(6-8)17-12-10-4-5-14-11(10)15-7-16-12/h1-7H,(H2,14,15,16,17)
InChIKeyCGTJZAKCIVQOPI-UHFFFAOYSA-N
XLogP3.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 57045449) is N-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Brc1cccc(Nc2ncnc3[nH]ccc23)c1.
What is the InChIKey of N-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CGTJZAKCIVQOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-8-2-1-3-9(6-8)17-12-10-4-5-14-11(10)15-7-16-12/h1-7H,(H2,14,15,16,17).
What are the key properties of N-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 289.14 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 57045449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).