2-bromo-5-methylthieno[2,3-d]pyrimidine

C7H5BrN2S — CID 87308839

IUPAC2-bromo-5-methylthieno[2,3-d]pyrimidine
SMILESCc1csc2nc(Br)ncc12
InChIInChI=1S/C7H5BrN2S/c1-4-3-11-6-5(4)2-9-7(8)10-6/h2-3H,1H3
InChIKeyLCNUDBVIIIXJPG-UHFFFAOYSA-N
MW229.10 g/mol
LogP2.76
Rot. Bonds

About 2-bromo-5-methylthieno[2,3-d]pyrimidine

2-bromo-5-methylthieno[2,3-d]pyrimidine (PubChem CID 87308839) has the molecular formula C7H5BrN2S and a molecular weight of 229.10 g/mol. Its IUPAC name is 2-bromo-5-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-bromo-5-methylthieno[2,3-d]pyrimidine
PubChem CID87308839
Molecular FormulaC7H5BrN2S
Molecular Weight229.10 g/mol
Exact Mass227.94
IUPAC Name2-bromo-5-methylthieno[2,3-d]pyrimidine
SMILESCc1csc2nc(Br)ncc12
InChIInChI=1S/C7H5BrN2S/c1-4-3-11-6-5(4)2-9-7(8)10-6/h2-3H,1H3
InChIKeyLCNUDBVIIIXJPG-UHFFFAOYSA-N
XLogP2.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.10
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-bromo-5-methylthieno[2,3-d]pyrimidine (CID 87308839) is 2-bromo-5-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-bromo-5-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-bromo-5-methylthieno[2,3-d]pyrimidine is Cc1csc2nc(Br)ncc12.
What is the InChIKey of 2-bromo-5-methylthieno[2,3-d]pyrimidine?
The InChIKey is LCNUDBVIIIXJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2S/c1-4-3-11-6-5(4)2-9-7(8)10-6/h2-3H,1H3.
What are the key properties of 2-bromo-5-methylthieno[2,3-d]pyrimidine?
2-bromo-5-methylthieno[2,3-d]pyrimidine has a molecular weight of 229.10 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 87308839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).