3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol

C12H9BrN4O — CID 10380356

IUPAC3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol
SMILESNc1nccc(-c2c[nH]c3cc(Br)cc(O)c23)n1
InChIInChI=1S/C12H9BrN4O/c13-6-3-9-11(10(18)4-6)7(5-16-9)8-1-2-15-12(14)17-8/h1-5,16,18H,(H2,14,15,17)
InChIKeyPYQFQGXOARMGAQ-UHFFFAOYSA-N
MW305.14 g/mol
LogP2.68
Rot. Bonds1

About 3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol

3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol (PubChem CID 10380356) has the molecular formula C12H9BrN4O and a molecular weight of 305.14 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol
PubChem CID10380356
Molecular FormulaC12H9BrN4O
Molecular Weight305.14 g/mol
Exact Mass304.00
IUPAC Name3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol
SMILESNc1nccc(-c2c[nH]c3cc(Br)cc(O)c23)n1
InChIInChI=1S/C12H9BrN4O/c13-6-3-9-11(10(18)4-6)7(5-16-9)8-1-2-15-12(14)17-8/h1-5,16,18H,(H2,14,15,17)
InChIKeyPYQFQGXOARMGAQ-UHFFFAOYSA-N
XLogP2.68
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol (CID 10380356) is 3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol is Nc1nccc(-c2c[nH]c3cc(Br)cc(O)c23)n1.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol?
The InChIKey is PYQFQGXOARMGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O/c13-6-3-9-11(10(18)4-6)7(5-16-9)8-1-2-15-12(14)17-8/h1-5,16,18H,(H2,14,15,17).
What are the key properties of 3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol?
3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol has a molecular weight of 305.14 g/mol, XLogP of 2.68, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol is sourced from PubChem (CID 10380356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).