methyl 7-bromo-2-methoxythieno[3,2-d]pyrimidine-6-carboxylate

C9H7BrN2O3S — CID 67965474

IUPACmethyl 7-bromo-2-methoxythieno[3,2-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2cnc(OC)nc2c1Br
InChIInChI=1S/C9H7BrN2O3S/c1-14-8(13)7-5(10)6-4(16-7)3-11-9(12-6)15-2/h3H,1-2H3
InChIKeyYFYBIAMDJQGQEY-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.25
Rot. Bonds2

About methyl 7-bromo-2-methoxythieno[3,2-d]pyrimidine-6-carboxylate

methyl 7-bromo-2-methoxythieno[3,2-d]pyrimidine-6-carboxylate (PubChem CID 67965474) has the molecular formula C9H7BrN2O3S and a molecular weight of 303.14 g/mol. Its IUPAC name is methyl 7-bromo-2-methoxythieno[3,2-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-2-methoxythieno[3,2-d]pyrimidine-6-carboxylate
PubChem CID67965474
Molecular FormulaC9H7BrN2O3S
Molecular Weight303.14 g/mol
Exact Mass301.94
IUPAC Namemethyl 7-bromo-2-methoxythieno[3,2-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2cnc(OC)nc2c1Br
InChIInChI=1S/C9H7BrN2O3S/c1-14-8(13)7-5(10)6-4(16-7)3-11-9(12-6)15-2/h3H,1-2H3
InChIKeyYFYBIAMDJQGQEY-UHFFFAOYSA-N
XLogP2.25
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-2-methoxythieno[3,2-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 7-bromo-2-methoxythieno[3,2-d]pyrimidine-6-carboxylate (CID 67965474) is methyl 7-bromo-2-methoxythieno[3,2-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 7-bromo-2-methoxythieno[3,2-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 7-bromo-2-methoxythieno[3,2-d]pyrimidine-6-carboxylate is COC(=O)c1sc2cnc(OC)nc2c1Br.
What is the InChIKey of methyl 7-bromo-2-methoxythieno[3,2-d]pyrimidine-6-carboxylate?
The InChIKey is YFYBIAMDJQGQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3S/c1-14-8(13)7-5(10)6-4(16-7)3-11-9(12-6)15-2/h3H,1-2H3.
What are the key properties of methyl 7-bromo-2-methoxythieno[3,2-d]pyrimidine-6-carboxylate?
methyl 7-bromo-2-methoxythieno[3,2-d]pyrimidine-6-carboxylate has a molecular weight of 303.14 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromo-2-methoxythieno[3,2-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 67965474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).