2,7-dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C6H3Br2N3O — CID 135408951

IUPAC2,7-dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(Br)nc2c(Br)c[nH]c12
InChIInChI=1S/C6H3Br2N3O/c7-2-1-9-4-3(2)10-6(8)11-5(4)12/h1,9H,(H,10,11,12)
InChIKeyMOSFCLIMILENOG-UHFFFAOYSA-N
MW292.92 g/mol
LogP1.78
Rot. Bonds

About 2,7-dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

2,7-dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135408951) has the molecular formula C6H3Br2N3O and a molecular weight of 292.92 g/mol. Its IUPAC name is 2,7-dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,7-dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135408951
Molecular FormulaC6H3Br2N3O
Molecular Weight292.92 g/mol
Exact Mass290.86
IUPAC Name2,7-dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(Br)nc2c(Br)c[nH]c12
InChIInChI=1S/C6H3Br2N3O/c7-2-1-9-4-3(2)10-6(8)11-5(4)12/h1,9H,(H,10,11,12)
InChIKeyMOSFCLIMILENOG-UHFFFAOYSA-N
XLogP1.78
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.92
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2,7-dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135408951) is 2,7-dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2,7-dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2,7-dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is O=c1[nH]c(Br)nc2c(Br)c[nH]c12.
What is the InChIKey of 2,7-dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is MOSFCLIMILENOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2N3O/c7-2-1-9-4-3(2)10-6(8)11-5(4)12/h1,9H,(H,10,11,12).
What are the key properties of 2,7-dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2,7-dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 292.92 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135408951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).