2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline

C13H10BrN3OS — CID 102686774

IUPAC2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
SMILESCc1csc2c(Oc3cccc(N)c3Br)ncnc12
InChIInChI=1S/C13H10BrN3OS/c1-7-5-19-12-11(7)16-6-17-13(12)18-9-4-2-3-8(15)10(9)14/h2-6H,15H2,1H3
InChIKeySAEHXUFBMNMMCY-UHFFFAOYSA-N
MW336.21 g/mol
LogP4.14
Rot. Bonds2

About 2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline

2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline (PubChem CID 102686774) has the molecular formula C13H10BrN3OS and a molecular weight of 336.21 g/mol. Its IUPAC name is 2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline.

Molecular Properties

Compound Name2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
PubChem CID102686774
Molecular FormulaC13H10BrN3OS
Molecular Weight336.21 g/mol
Exact Mass334.97
IUPAC Name2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
SMILESCc1csc2c(Oc3cccc(N)c3Br)ncnc12
InChIInChI=1S/C13H10BrN3OS/c1-7-5-19-12-11(7)16-6-17-13(12)18-9-4-2-3-8(15)10(9)14/h2-6H,15H2,1H3
InChIKeySAEHXUFBMNMMCY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
CID 102686771
4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine
CID 102686187
2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid
CID 102687093
3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile
CID 102686754
3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol
CID 102687000
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline
CID 102686745
[3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 107667192
3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxycyclopentan-1-amine
CID 102687168
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718970
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718992
3-[(2-amino-6-bromophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685256
4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114578870

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline?
The IUPAC name of 2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline (CID 102686774) is 2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline.
What is the SMILES notation for 2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline?
The canonical SMILES for 2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline is Cc1csc2c(Oc3cccc(N)c3Br)ncnc12.
What is the InChIKey of 2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline?
The InChIKey is SAEHXUFBMNMMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS/c1-7-5-19-12-11(7)16-6-17-13(12)18-9-4-2-3-8(15)10(9)14/h2-6H,15H2,1H3.
What are the key properties of 2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline?
2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline 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 2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline is sourced from PubChem (CID 102686774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).