5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine

C19H11BrF3N3S — CID 2241086

IUPAC5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(Nc2ncnc3scc(-c4ccc(Br)cc4)c23)c1
InChIInChI=1S/C19H11BrF3N3S/c20-13-6-4-11(5-7-13)15-9-27-18-16(15)17(24-10-25-18)26-14-3-1-2-12(8-14)19(21,22)23/h1-10H,(H,24,25,26)
InChIKeyIUXDNOOZVSQYGP-UHFFFAOYSA-N
MW450.28 g/mol
LogP6.88
Rot. Bonds3

About 5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine

5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2241086) has the molecular formula C19H11BrF3N3S and a molecular weight of 450.28 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID2241086
Molecular FormulaC19H11BrF3N3S
Molecular Weight450.28 g/mol
Exact Mass448.98
IUPAC Name5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(Nc2ncnc3scc(-c4ccc(Br)cc4)c23)c1
InChIInChI=1S/C19H11BrF3N3S/c20-13-6-4-11(5-7-13)15-9-27-18-16(15)17(24-10-25-18)26-14-3-1-2-12(8-14)19(21,22)23/h1-10H,(H,24,25,26)
InChIKeyIUXDNOOZVSQYGP-UHFFFAOYSA-N
XLogP6.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.28
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[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

N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 21010054
5-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635970
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010805
3-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 20997842
N-[3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 21011857
4-N-(3-bromophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148508
5-(4-bromophenyl)-N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011309
5-(4-methylphenyl)-N-(3-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2391301
5-(4-bromophenyl)-N-(4-butoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012536
3-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21009753
N-[3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 21011861
methyl 3-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 20997970

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine (CID 2241086) is 5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine is FC(F)(F)c1cccc(Nc2ncnc3scc(-c4ccc(Br)cc4)c23)c1.
What is the InChIKey of 5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IUXDNOOZVSQYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrF3N3S/c20-13-6-4-11(5-7-13)15-9-27-18-16(15)17(24-10-25-18)26-14-3-1-2-12(8-14)19(21,22)23/h1-10H,(H,24,25,26).
What are the key properties of 5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine?
5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 450.28 g/mol, XLogP of 6.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2241086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).