4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine

C14H11BrN2OS — CID 102686187

IUPAC4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine
SMILESCc1cc(Br)ccc1Oc1ncnc2c(C)csc12
InChIInChI=1S/C14H11BrN2OS/c1-8-5-10(15)3-4-11(8)18-14-13-12(16-7-17-14)9(2)6-19-13/h3-7H,1-2H3
InChIKeyFRXQPNVPVWHMMF-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.86
Rot. Bonds2

About 4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine

4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine (PubChem CID 102686187) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine
PubChem CID102686187
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC Name4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine
SMILESCc1cc(Br)ccc1Oc1ncnc2c(C)csc12
InChIInChI=1S/C14H11BrN2OS/c1-8-5-10(15)3-4-11(8)18-14-13-12(16-7-17-14)9(2)6-19-13/h3-7H,1-2H3
InChIKeyFRXQPNVPVWHMMF-UHFFFAOYSA-N
XLogP4.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 102687112
2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
CID 102686774
3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile
CID 102686754
[3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 107667192
3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol
CID 102687000
4-(4-bromo-2-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine
CID 114203118
3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
CID 102686771
[6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80924994
4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid
CID 102687073
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline
CID 102686745
2-(4-bromo-2-methylphenoxy)-4-ethyl-1,3-thiazole
CID 63214900
4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine
CID 24561427

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine (CID 102686187) is 4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine is Cc1cc(Br)ccc1Oc1ncnc2c(C)csc12.
What is the InChIKey of 4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine?
The InChIKey is FRXQPNVPVWHMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c1-8-5-10(15)3-4-11(8)18-14-13-12(16-7-17-14)9(2)6-19-13/h3-7H,1-2H3.
What are the key properties of 4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine?
4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine has a molecular weight of 335.23 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 102686187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).