8-bromo-5,5-dimethylindeno[1,2-d]pyrimidine

C13H11BrN2 — CID 139524867

IUPAC8-bromo-5,5-dimethylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccc(Br)cc2-c2ncncc21
InChIInChI=1S/C13H11BrN2/c1-13(2)10-4-3-8(14)5-9(10)12-11(13)6-15-7-16-12/h3-7H,1-2H3
InChIKeyFNGTXNPJLWRQSR-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.55
Rot. Bonds

About 8-bromo-5,5-dimethylindeno[1,2-d]pyrimidine

8-bromo-5,5-dimethylindeno[1,2-d]pyrimidine (PubChem CID 139524867) has the molecular formula C13H11BrN2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 8-bromo-5,5-dimethylindeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name8-bromo-5,5-dimethylindeno[1,2-d]pyrimidine
PubChem CID139524867
Molecular FormulaC13H11BrN2
Molecular Weight275.15 g/mol
Exact Mass274.01
IUPAC Name8-bromo-5,5-dimethylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccc(Br)cc2-c2ncncc21
InChIInChI=1S/C13H11BrN2/c1-13(2)10-4-3-8(14)5-9(10)12-11(13)6-15-7-16-12/h3-7H,1-2H3
InChIKeyFNGTXNPJLWRQSR-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5,5-dimethylindeno[1,2-d]pyrimidine?
The IUPAC name of 8-bromo-5,5-dimethylindeno[1,2-d]pyrimidine (CID 139524867) is 8-bromo-5,5-dimethylindeno[1,2-d]pyrimidine.
What is the SMILES notation for 8-bromo-5,5-dimethylindeno[1,2-d]pyrimidine?
The canonical SMILES for 8-bromo-5,5-dimethylindeno[1,2-d]pyrimidine is CC1(C)c2ccc(Br)cc2-c2ncncc21.
What is the InChIKey of 8-bromo-5,5-dimethylindeno[1,2-d]pyrimidine?
The InChIKey is FNGTXNPJLWRQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2/c1-13(2)10-4-3-8(14)5-9(10)12-11(13)6-15-7-16-12/h3-7H,1-2H3.
What are the key properties of 8-bromo-5,5-dimethylindeno[1,2-d]pyrimidine?
8-bromo-5,5-dimethylindeno[1,2-d]pyrimidine has a molecular weight of 275.15 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5,5-dimethylindeno[1,2-d]pyrimidine is sourced from PubChem (CID 139524867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).