N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-amine

C21H16BrN5S — CID 28505151

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESBrc1ccc(-c2csc3ncnc(NCCc4nc5ccccc5[nH]4)c23)cc1
InChIInChI=1S/C21H16BrN5S/c22-14-7-5-13(6-8-14)15-11-28-21-19(15)20(24-12-25-21)23-10-9-18-26-16-3-1-2-4-17(16)27-18/h1-8,11-12H,9-10H2,(H,26,27)(H,23,24,25)
InChIKeyRMZRZRQBTWHDFW-UHFFFAOYSA-N
MW450.37 g/mol
LogP5.65
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-amine

N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 28505151) has the molecular formula C21H16BrN5S and a molecular weight of 450.37 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID28505151
Molecular FormulaC21H16BrN5S
Molecular Weight450.37 g/mol
Exact Mass449.03
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESBrc1ccc(-c2csc3ncnc(NCCc4nc5ccccc5[nH]4)c23)cc1
InChIInChI=1S/C21H16BrN5S/c22-14-7-5-13(6-8-14)15-11-28-21-19(15)20(24-12-25-21)23-10-9-18-26-16-3-1-2-4-17(16)27-18/h1-8,11-12H,9-10H2,(H,26,27)(H,23,24,25)
InChIKeyRMZRZRQBTWHDFW-UHFFFAOYSA-N
XLogP5.65
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.37
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-bromophenyl)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-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28505127
N-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]-N'-pyrimidin-2-ylethane-1,2-diamine
CID 166194522
5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 705842
5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 28849745
5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 46347943
5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 3151763
N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-N-naphthalen-1-ylethane-1,2-diamine
CID 28505096
N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2116537
2-methoxyethyl 4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28874988
4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 2424566
2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 167768772
5-(4-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 75419576

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 28505151) is N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-amine is Brc1ccc(-c2csc3ncnc(NCCc4nc5ccccc5[nH]4)c23)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RMZRZRQBTWHDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN5S/c22-14-7-5-13(6-8-14)15-11-28-21-19(15)20(24-12-25-21)23-10-9-18-26-16-3-1-2-4-17(16)27-18/h1-8,11-12H,9-10H2,(H,26,27)(H,23,24,25).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-amine?
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 450.37 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 28505151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).