2-(2-amino-5-bromopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C11H10BrN5O — CID 24776679

IUPAC2-(2-amino-5-bromopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1ncc(Br)c(-c2cc3c([nH]2)CCNC3=O)n1
InChIInChI=1S/C11H10BrN5O/c12-6-4-15-11(13)17-9(6)8-3-5-7(16-8)1-2-14-10(5)18/h3-4,16H,1-2H2,(H,14,18)(H2,13,15,17)
InChIKeyJQWZRWGXKYXYLS-UHFFFAOYSA-N
MW308.14 g/mol
LogP1.10
Rot. Bonds1

About 2-(2-amino-5-bromopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-(2-amino-5-bromopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 24776679) has the molecular formula C11H10BrN5O and a molecular weight of 308.14 g/mol. Its IUPAC name is 2-(2-amino-5-bromopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-amino-5-bromopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID24776679
Molecular FormulaC11H10BrN5O
Molecular Weight308.14 g/mol
Exact Mass307.01
IUPAC Name2-(2-amino-5-bromopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1ncc(Br)c(-c2cc3c([nH]2)CCNC3=O)n1
InChIInChI=1S/C11H10BrN5O/c12-6-4-15-11(13)17-9(6)8-3-5-7(16-8)1-2-14-10(5)18/h3-4,16H,1-2H2,(H,14,18)(H2,13,15,17)
InChIKeyJQWZRWGXKYXYLS-UHFFFAOYSA-N
XLogP1.10
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-amino-5-bromopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 24776679) is 2-(2-amino-5-bromopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-amino-5-bromopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-amino-5-bromopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is Nc1ncc(Br)c(-c2cc3c([nH]2)CCNC3=O)n1.
What is the InChIKey of 2-(2-amino-5-bromopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is JQWZRWGXKYXYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O/c12-6-4-15-11(13)17-9(6)8-3-5-7(16-8)1-2-14-10(5)18/h3-4,16H,1-2H2,(H,14,18)(H2,13,15,17).
What are the key properties of 2-(2-amino-5-bromopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-amino-5-bromopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 308.14 g/mol, XLogP of 1.10, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 24776679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).