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

C13H10BrN3OS — CID 103333341

IUPAC4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc(Oc2nc(N)nc3sccc23)ccc1Br
InChIInChI=1S/C13H10BrN3OS/c1-7-6-8(2-3-10(7)14)18-11-9-4-5-19-12(9)17-13(15)16-11/h2-6H,1H3,(H2,15,16,17)
InChIKeyWEDZGFDKAYESFJ-UHFFFAOYSA-N
MW336.21 g/mol
LogP4.14
Rot. Bonds2

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

4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103333341) has the molecular formula C13H10BrN3OS and a molecular weight of 336.21 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103333341
Molecular FormulaC13H10BrN3OS
Molecular Weight336.21 g/mol
Exact Mass334.97
IUPAC Name4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc(Oc2nc(N)nc3sccc23)ccc1Br
InChIInChI=1S/C13H10BrN3OS/c1-7-6-8(2-3-10(7)14)18-11-9-4-5-19-12(9)17-13(15)16-11/h2-6H,1H3,(H2,15,16,17)
InChIKeyWEDZGFDKAYESFJ-UHFFFAOYSA-N
XLogP4.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine
CID 83134763
4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine
CID 103332787
4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333095
4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332428
4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332258
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 103331970
[4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 107727417
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine
CID 83135228
4-(3-chloro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332407
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine
CID 103333669
4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333166
6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 83134293

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine (CID 103333341) is 4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine is Cc1cc(Oc2nc(N)nc3sccc23)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is WEDZGFDKAYESFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS/c1-7-6-8(2-3-10(7)14)18-11-9-4-5-19-12(9)17-13(15)16-11/h2-6H,1H3,(H2,15,16,17).
What are the key properties of 4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 336.21 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103333341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).