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

C15H13BrFN3S — CID 114907051

IUPAC2-(4-bromo-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(Br)cc2F)nc2sc(C)cc12
InChIInChI=1S/C15H13BrFN3S/c1-3-18-13-11-6-8(2)21-15(11)20-14(19-13)10-5-4-9(16)7-12(10)17/h4-7H,3H2,1-2H3,(H,18,19,20)
InChIKeyWTRJOGOGTAPAHL-UHFFFAOYSA-N
MW366.26 g/mol
LogP5.00
Rot. Bonds3

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

2-(4-bromo-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 114907051) has the molecular formula C15H13BrFN3S and a molecular weight of 366.26 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID114907051
Molecular FormulaC15H13BrFN3S
Molecular Weight366.26 g/mol
Exact Mass365.00
IUPAC Name2-(4-bromo-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(Br)cc2F)nc2sc(C)cc12
InChIInChI=1S/C15H13BrFN3S/c1-3-18-13-11-6-8(2)21-15(11)20-14(19-13)10-5-4-9(16)7-12(10)17/h4-7H,3H2,1-2H3,(H,18,19,20)
InChIKeyWTRJOGOGTAPAHL-UHFFFAOYSA-N
XLogP5.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.26
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-2-fluorophenyl)-N-ethyl-6-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-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63618711
2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 63617006
2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 107281374
N-ethyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63618358
2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 114907043
[2-(4-fluoro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 81278265
4-N-(4-bromo-2-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323386
2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63616667
N,6-diethyl-2-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63615625
5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 103083781
N-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 107935507
2-(2,2-dimethylcyclopropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 107925629

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 114907051) is 2-(4-bromo-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine is CCNc1nc(-c2ccc(Br)cc2F)nc2sc(C)cc12.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WTRJOGOGTAPAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3S/c1-3-18-13-11-6-8(2)21-15(11)20-14(19-13)10-5-4-9(16)7-12(10)17/h4-7H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-(4-bromo-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 366.26 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 114907051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).