[5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine

C14H12BrN3OS — CID 102687112

IUPAC[5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
SMILESCc1csc2c(Oc3ccc(Br)cc3CN)ncnc12
InChIInChI=1S/C14H12BrN3OS/c1-8-6-20-13-12(8)17-7-18-14(13)19-11-3-2-10(15)4-9(11)5-16/h2-4,6-7H,5,16H2,1H3
InChIKeyKABRIPRBUZPGOR-UHFFFAOYSA-N
MW350.24 g/mol
LogP4.01
Rot. Bonds3

About [5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine

[5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine (PubChem CID 102687112) has the molecular formula C14H12BrN3OS and a molecular weight of 350.24 g/mol. Its IUPAC name is [5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
PubChem CID102687112
Molecular FormulaC14H12BrN3OS
Molecular Weight350.24 g/mol
Exact Mass348.99
IUPAC Name[5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
SMILESCc1csc2c(Oc3ccc(Br)cc3CN)ncnc12
InChIInChI=1S/C14H12BrN3OS/c1-8-6-20-13-12(8)17-7-18-14(13)19-11-3-2-10(15)4-9(11)5-16/h2-4,6-7H,5,16H2,1H3
InChIKeyKABRIPRBUZPGOR-UHFFFAOYSA-N
XLogP4.01
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine 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

4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine
CID 102686187
[3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 107667192
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
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
[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60877933
3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
CID 102686771
[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
CID 114889855
3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol
CID 102687000
[5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 83145645
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline
CID 102686745
[5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 83146354

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine?
The IUPAC name of [5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine (CID 102687112) is [5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine.
What is the SMILES notation for [5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine?
The canonical SMILES for [5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine is Cc1csc2c(Oc3ccc(Br)cc3CN)ncnc12.
What is the InChIKey of [5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine?
The InChIKey is KABRIPRBUZPGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3OS/c1-8-6-20-13-12(8)17-7-18-14(13)19-11-3-2-10(15)4-9(11)5-16/h2-4,6-7H,5,16H2,1H3.
What are the key properties of [5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine?
[5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine has a molecular weight of 350.24 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine is sourced from PubChem (CID 102687112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).