5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C21H18BrN3S — CID 21009655

IUPAC5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(C)c(Nc2ncnc3sc(C)c(-c4ccc(Br)cc4)c23)c1
InChIInChI=1S/C21H18BrN3S/c1-12-4-5-13(2)17(10-12)25-20-19-18(15-6-8-16(22)9-7-15)14(3)26-21(19)24-11-23-20/h4-11H,1-3H3,(H,23,24,25)
InChIKeyOPWAWOXPGJSZHQ-UHFFFAOYSA-N
MW424.37 g/mol
LogP6.79
Rot. Bonds3

About 5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 21009655) has the molecular formula C21H18BrN3S and a molecular weight of 424.37 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID21009655
Molecular FormulaC21H18BrN3S
Molecular Weight424.37 g/mol
Exact Mass423.04
IUPAC Name5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(C)c(Nc2ncnc3sc(C)c(-c4ccc(Br)cc4)c23)c1
InChIInChI=1S/C21H18BrN3S/c1-12-4-5-13(2)17(10-12)25-20-19-18(15-6-8-16(22)9-7-15)14(3)26-21(19)24-11-23-20/h4-11H,1-3H3,(H,23,24,25)
InChIKeyOPWAWOXPGJSZHQ-UHFFFAOYSA-N
XLogP6.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.37
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009656
2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-5-methylphenol
CID 21010275
5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009282
N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009771
2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011484
N-(2-chloro-4,6-dimethylphenyl)-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110659942
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
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
3-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile
CID 21010497
N-(2,3-dimethylphenyl)-5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009603
4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide
CID 21009309

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 21009655) is 5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1ccc(C)c(Nc2ncnc3sc(C)c(-c4ccc(Br)cc4)c23)c1.
What is the InChIKey of 5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OPWAWOXPGJSZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3S/c1-12-4-5-13(2)17(10-12)25-20-19-18(15-6-8-16(22)9-7-15)14(3)26-21(19)24-11-23-20/h4-11H,1-3H3,(H,23,24,25).
What are the key properties of 5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 424.37 g/mol, XLogP of 6.79, 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-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21009655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).