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

C20H16BrN3S — CID 21011309

IUPAC5-(4-bromophenyl)-N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc3scc(-c4ccc(Br)cc4)c23)c(C)c1
InChIInChI=1S/C20H16BrN3S/c1-12-3-8-17(13(2)9-12)24-19-18-16(10-25-20(18)23-11-22-19)14-4-6-15(21)7-5-14/h3-11H,1-2H3,(H,22,23,24)
InChIKeyLYKGYXHDKDKXAR-UHFFFAOYSA-N
MW410.34 g/mol
LogP6.48
Rot. Bonds3

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

5-(4-bromophenyl)-N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 21011309) has the molecular formula C20H16BrN3S and a molecular weight of 410.34 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID21011309
Molecular FormulaC20H16BrN3S
Molecular Weight410.34 g/mol
Exact Mass409.02
IUPAC Name5-(4-bromophenyl)-N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc3scc(-c4ccc(Br)cc4)c23)c(C)c1
InChIInChI=1S/C20H16BrN3S/c1-12-3-8-17(13(2)9-12)24-19-18-16(10-25-20(18)23-11-22-19)14-4-6-15(21)7-5-14/h3-11H,1-2H3,(H,22,23,24)
InChIKeyLYKGYXHDKDKXAR-UHFFFAOYSA-N
XLogP6.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.34
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011311
N-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009652
5-(2,4-dimethylphenyl)-N-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011121
4-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-methylphenol
CID 21010234
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009781
5-(4-chlorophenyl)-N-(3,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 3820162
5-(3,4-dimethylphenyl)-N-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635988
N-(2-methylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011105
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
5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009655
5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 2241086

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-bromophenyl)-N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 21011309) is 5-(4-bromophenyl)-N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-bromophenyl)-N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-bromophenyl)-N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(Nc2ncnc3scc(-c4ccc(Br)cc4)c23)c(C)c1.
What is the InChIKey of 5-(4-bromophenyl)-N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LYKGYXHDKDKXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3S/c1-12-3-8-17(13(2)9-12)24-19-18-16(10-25-20(18)23-11-22-19)14-4-6-15(21)7-5-14/h3-11H,1-2H3,(H,22,23,24).
What are the key properties of 5-(4-bromophenyl)-N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
5-(4-bromophenyl)-N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 410.34 g/mol, XLogP of 6.48, 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-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21011309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).