4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine

C13H9BrN2OS — CID 83132793

IUPAC4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine
SMILESCc1cc(Oc2ncnc3ccsc23)ccc1Br
InChIInChI=1S/C13H9BrN2OS/c1-8-6-9(2-3-10(8)14)17-13-12-11(4-5-18-12)15-7-16-13/h2-7H,1H3
InChIKeyTVYPMFQSILGOQY-UHFFFAOYSA-N
MW321.20 g/mol
LogP4.55
Rot. Bonds2

About 4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine

4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine (PubChem CID 83132793) has the molecular formula C13H9BrN2OS and a molecular weight of 321.20 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine
PubChem CID83132793
Molecular FormulaC13H9BrN2OS
Molecular Weight321.20 g/mol
Exact Mass319.96
IUPAC Name4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine
SMILESCc1cc(Oc2ncnc3ccsc23)ccc1Br
InChIInChI=1S/C13H9BrN2OS/c1-8-6-9(2-3-10(8)14)17-13-12-11(4-5-18-12)15-7-16-13/h2-7H,1H3
InChIKeyTVYPMFQSILGOQY-UHFFFAOYSA-N
XLogP4.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine
CID 24561427
4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline
CID 43520274
4-[4-(6,10-dimethylpyren-1-yl)-3-methylphenoxy]thieno[3,2-d]pyrimidine
CID 151544113
4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine
CID 138038554
4-(4-bromo-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 81333719
(4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine
CID 107657529
methyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate
CID 24561411
2-(4-bromo-3-methylphenoxy)-3-methylpyridine
CID 83139867
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine
CID 81334328
4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333341
3-chloro-4-thieno[3,2-d]pyrimidin-4-yloxyaniline
CID 43364090
5-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)thiophene-2-sulfonamide
CID 138038342

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine?
The IUPAC name of 4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine (CID 83132793) is 4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine is Cc1cc(Oc2ncnc3ccsc23)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine?
The InChIKey is TVYPMFQSILGOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2OS/c1-8-6-9(2-3-10(8)14)17-13-12-11(4-5-18-12)15-7-16-13/h2-7H,1H3.
What are the key properties of 4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine?
4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine has a molecular weight of 321.20 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 83132793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).