4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide

C20H15BrN4OS — CID 21009309

IUPAC4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide
SMILESCc1sc2ncnc(Nc3ccc(C(N)=O)cc3)c2c1-c1ccc(Br)cc1
InChIInChI=1S/C20H15BrN4OS/c1-11-16(12-2-6-14(21)7-3-12)17-19(23-10-24-20(17)27-11)25-15-8-4-13(5-9-15)18(22)26/h2-10H,1H3,(H2,22,26)(H,23,24,25)
InChIKeyYFJQZEWQCLJOAI-UHFFFAOYSA-N
MW439.34 g/mol
LogP5.27
Rot. Bonds4

About 4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide

4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide (PubChem CID 21009309) has the molecular formula C20H15BrN4OS and a molecular weight of 439.34 g/mol. Its IUPAC name is 4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide
PubChem CID21009309
Molecular FormulaC20H15BrN4OS
Molecular Weight439.34 g/mol
Exact Mass438.01
IUPAC Name4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide
SMILESCc1sc2ncnc(Nc3ccc(C(N)=O)cc3)c2c1-c1ccc(Br)cc1
InChIInChI=1S/C20H15BrN4OS/c1-11-16(12-2-6-14(21)7-3-12)17-19(23-10-24-20(17)27-11)25-15-8-4-13(5-9-15)18(22)26/h2-10H,1H3,(H2,22,26)(H,23,24,25)
InChIKeyYFJQZEWQCLJOAI-UHFFFAOYSA-N
XLogP5.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.34
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]ethanone
CID 21009524
N-[3-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 21011874
4-[[5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 21012308
methyl 4-[[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21012237
methyl 4-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21012251
3-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile
CID 21010497
4-N,4-N-dimethyl-1-N-[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 21012140
4-N-[5-(4-ethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 28852465
2-[4-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
CID 21009471
2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-5-methylphenol
CID 21010275
propyl 4-[[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21009569
5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009655

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide?
The IUPAC name of 4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide (CID 21009309) is 4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for 4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for 4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide is Cc1sc2ncnc(Nc3ccc(C(N)=O)cc3)c2c1-c1ccc(Br)cc1.
What is the InChIKey of 4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide?
The InChIKey is YFJQZEWQCLJOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4OS/c1-11-16(12-2-6-14(21)7-3-12)17-19(23-10-24-20(17)27-11)25-15-8-4-13(5-9-15)18(22)26/h2-10H,1H3,(H2,22,26)(H,23,24,25).
What are the key properties of 4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide?
4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide has a molecular weight of 439.34 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 21009309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).