7-bromo-2,4-dimethoxythieno[3,2-d]pyrimidine

C8H7BrN2O2S — CID 67965699

IUPAC7-bromo-2,4-dimethoxythieno[3,2-d]pyrimidine
SMILESCOc1nc(OC)c2scc(Br)c2n1
InChIInChI=1S/C8H7BrN2O2S/c1-12-7-6-5(4(9)3-14-6)10-8(11-7)13-2/h3H,1-2H3
InChIKeyLMSIPEOBIQQECK-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.47
Rot. Bonds2

About 7-bromo-2,4-dimethoxythieno[3,2-d]pyrimidine

7-bromo-2,4-dimethoxythieno[3,2-d]pyrimidine (PubChem CID 67965699) has the molecular formula C8H7BrN2O2S and a molecular weight of 275.13 g/mol. Its IUPAC name is 7-bromo-2,4-dimethoxythieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-bromo-2,4-dimethoxythieno[3,2-d]pyrimidine
PubChem CID67965699
Molecular FormulaC8H7BrN2O2S
Molecular Weight275.13 g/mol
Exact Mass273.94
IUPAC Name7-bromo-2,4-dimethoxythieno[3,2-d]pyrimidine
SMILESCOc1nc(OC)c2scc(Br)c2n1
InChIInChI=1S/C8H7BrN2O2S/c1-12-7-6-5(4(9)3-14-6)10-8(11-7)13-2/h3H,1-2H3
InChIKeyLMSIPEOBIQQECK-UHFFFAOYSA-N
XLogP2.47
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,4-dimethoxythieno[3,2-d]pyrimidine?
The IUPAC name of 7-bromo-2,4-dimethoxythieno[3,2-d]pyrimidine (CID 67965699) is 7-bromo-2,4-dimethoxythieno[3,2-d]pyrimidine.
What is the SMILES notation for 7-bromo-2,4-dimethoxythieno[3,2-d]pyrimidine?
The canonical SMILES for 7-bromo-2,4-dimethoxythieno[3,2-d]pyrimidine is COc1nc(OC)c2scc(Br)c2n1.
What is the InChIKey of 7-bromo-2,4-dimethoxythieno[3,2-d]pyrimidine?
The InChIKey is LMSIPEOBIQQECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2S/c1-12-7-6-5(4(9)3-14-6)10-8(11-7)13-2/h3H,1-2H3.
What are the key properties of 7-bromo-2,4-dimethoxythieno[3,2-d]pyrimidine?
7-bromo-2,4-dimethoxythieno[3,2-d]pyrimidine has a molecular weight of 275.13 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,4-dimethoxythieno[3,2-d]pyrimidine is sourced from PubChem (CID 67965699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).