4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine

C12H8BrClN4S — CID 103481983

IUPAC4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cccc(Cl)c2Br)c2ccsc2n1
InChIInChI=1S/C12H8BrClN4S/c13-9-7(14)2-1-3-8(9)16-10-6-4-5-19-11(6)18-12(15)17-10/h1-5H,(H3,15,16,17,18)
InChIKeyVLJFYVIPUWNTBE-UHFFFAOYSA-N
MW355.65 g/mol
LogP4.43
Rot. Bonds2

About 4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine

4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103481983) has the molecular formula C12H8BrClN4S and a molecular weight of 355.65 g/mol. Its IUPAC name is 4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103481983
Molecular FormulaC12H8BrClN4S
Molecular Weight355.65 g/mol
Exact Mass353.93
IUPAC Name4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cccc(Cl)c2Br)c2ccsc2n1
InChIInChI=1S/C12H8BrClN4S/c13-9-7(14)2-1-3-8(9)16-10-6-4-5-19-11(6)18-12(15)17-10/h1-5H,(H3,15,16,17,18)
InChIKeyVLJFYVIPUWNTBE-UHFFFAOYSA-N
XLogP4.43
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.65
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323534
4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330623
4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323332
4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323357
2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 93214079
4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323570
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107801722
4-N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323320
4-N-(5-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323664
2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066171
N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2538570
4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323343

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103481983) is 4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine is Nc1nc(Nc2cccc(Cl)c2Br)c2ccsc2n1.
What is the InChIKey of 4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is VLJFYVIPUWNTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN4S/c13-9-7(14)2-1-3-8(9)16-10-6-4-5-19-11(6)18-12(15)17-10/h1-5H,(H3,15,16,17,18).
What are the key properties of 4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 355.65 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103481983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).