6-bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine

C7H4BrClN2S — CID 118024084

IUPAC6-bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2cc(Br)sc2n1
InChIInChI=1S/C7H4BrClN2S/c1-3-10-6(9)4-2-5(8)12-7(4)11-3/h2H,1H3
InChIKeyATNNFHXJMVSRQX-UHFFFAOYSA-N
MW263.55 g/mol
LogP3.42
Rot. Bonds

About 6-bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine

6-bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine (PubChem CID 118024084) has the molecular formula C7H4BrClN2S and a molecular weight of 263.55 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine
PubChem CID118024084
Molecular FormulaC7H4BrClN2S
Molecular Weight263.55 g/mol
Exact Mass261.90
IUPAC Name6-bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2cc(Br)sc2n1
InChIInChI=1S/C7H4BrClN2S/c1-3-10-6(9)4-2-5(8)12-7(4)11-3/h2H,1H3
InChIKeyATNNFHXJMVSRQX-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.55
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 6-bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine (CID 118024084) is 6-bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 6-bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine is Cc1nc(Cl)c2cc(Br)sc2n1.
What is the InChIKey of 6-bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine?
The InChIKey is ATNNFHXJMVSRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN2S/c1-3-10-6(9)4-2-5(8)12-7(4)11-3/h2H,1H3.
What are the key properties of 6-bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine?
6-bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine has a molecular weight of 263.55 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 118024084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).