2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

C13H9BrFN3S — CID 114887684

IUPAC2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2c(F)cccc2Br)nc2sccc12
InChIInChI=1S/C13H9BrFN3S/c1-16-11-7-5-6-19-13(7)18-12(17-11)10-8(14)3-2-4-9(10)15/h2-6H,1H3,(H,16,17,18)
InChIKeyGABZNYYSEYBQJU-UHFFFAOYSA-N
MW338.21 g/mol
LogP4.30
Rot. Bonds2

About 2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 114887684) has the molecular formula C13H9BrFN3S and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID114887684
Molecular FormulaC13H9BrFN3S
Molecular Weight338.21 g/mol
Exact Mass336.97
IUPAC Name2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2c(F)cccc2Br)nc2sccc12
InChIInChI=1S/C13H9BrFN3S/c1-16-11-7-5-6-19-13(7)18-12(17-11)10-8(14)3-2-4-9(10)15/h2-6H,1H3,(H,16,17,18)
InChIKeyGABZNYYSEYBQJU-UHFFFAOYSA-N
XLogP4.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine 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

2-(3-bromo-4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 82800329
2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 114907043
2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62188533
[2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 114887695
4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323324
2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79516498
2-(3-ethyl-2-pyridinyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 82741495
2-(2-methoxy-4-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 106792983
2-(3,5-dimethoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103399652
4-N-[(2-bromophenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325539
2-(3,4-dimethoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62187794
6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine
CID 64981014

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 114887684) is 2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(-c2c(F)cccc2Br)nc2sccc12.
What is the InChIKey of 2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GABZNYYSEYBQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3S/c1-16-11-7-5-6-19-13(7)18-12(17-11)10-8(14)3-2-4-9(10)15/h2-6H,1H3,(H,16,17,18).
What are the key properties of 2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 338.21 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 114887684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).