2-(3,5-dibromo-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

C11H8Br2N4O — CID 136941453

IUPAC2-(3,5-dibromo-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ncc(Br)cc2Br)nc2c1CNC2
InChIInChI=1S/C11H8Br2N4O/c12-5-1-7(13)9(15-2-5)10-16-8-4-14-3-6(8)11(18)17-10/h1-2,14H,3-4H2,(H,16,17,18)
InChIKeyMUYHVGLEVGHSOS-UHFFFAOYSA-N
MW372.02 g/mol
LogP1.96
Rot. Bonds1

About 2-(3,5-dibromo-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

2-(3,5-dibromo-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941453) has the molecular formula C11H8Br2N4O and a molecular weight of 372.02 g/mol. Its IUPAC name is 2-(3,5-dibromo-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3,5-dibromo-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941453
Molecular FormulaC11H8Br2N4O
Molecular Weight372.02 g/mol
Exact Mass369.91
IUPAC Name2-(3,5-dibromo-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ncc(Br)cc2Br)nc2c1CNC2
InChIInChI=1S/C11H8Br2N4O/c12-5-1-7(13)9(15-2-5)10-16-8-4-14-3-6(8)11(18)17-10/h1-2,14H,3-4H2,(H,16,17,18)
InChIKeyMUYHVGLEVGHSOS-UHFFFAOYSA-N
XLogP1.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.02
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(3,5-dibromo-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941453) is 2-(3,5-dibromo-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3,5-dibromo-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(3,5-dibromo-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is O=c1[nH]c(-c2ncc(Br)cc2Br)nc2c1CNC2.
What is the InChIKey of 2-(3,5-dibromo-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is MUYHVGLEVGHSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N4O/c12-5-1-7(13)9(15-2-5)10-16-8-4-14-3-6(8)11(18)17-10/h1-2,14H,3-4H2,(H,16,17,18).
What are the key properties of 2-(3,5-dibromo-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(3,5-dibromo-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 372.02 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).