2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrobromide

C7H11Br2N3 — CID 154853248

IUPAC2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrobromide
SMILESBr.Br.Cc1ncc2c(n1)CNC2
InChIInChI=1S/C7H9N3.2BrH/c1-5-9-3-6-2-8-4-7(6)10-5;;/h3,8H,2,4H2,1H3;2*1H
InChIKeyYHFLGJFJHATWLU-UHFFFAOYSA-N
MW296.99 g/mol
LogP1.54
Rot. Bonds

About 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrobromide

2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrobromide (PubChem CID 154853248) has the molecular formula C7H11Br2N3 and a molecular weight of 296.99 g/mol. Its IUPAC name is 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrobromide.

Molecular Properties

Compound Name2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrobromide
PubChem CID154853248
Molecular FormulaC7H11Br2N3
Molecular Weight296.99 g/mol
Exact Mass294.93
IUPAC Name2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrobromide
SMILESBr.Br.Cc1ncc2c(n1)CNC2
InChIInChI=1S/C7H9N3.2BrH/c1-5-9-3-6-2-8-4-7(6)10-5;;/h3,8H,2,4H2,1H3;2*1H
InChIKeyYHFLGJFJHATWLU-UHFFFAOYSA-N
XLogP1.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.99
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrobromide?
The IUPAC name of 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrobromide (CID 154853248) is 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrobromide.
What is the SMILES notation for 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrobromide?
The canonical SMILES for 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrobromide is Br.Br.Cc1ncc2c(n1)CNC2.
What is the InChIKey of 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrobromide?
The InChIKey is YHFLGJFJHATWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.2BrH/c1-5-9-3-6-2-8-4-7(6)10-5;;/h3,8H,2,4H2,1H3;2*1H.
What are the key properties of 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrobromide?
2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrobromide has a molecular weight of 296.99 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrobromide is sourced from PubChem (CID 154853248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).