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

C20H14BrCl2N3S — CID 21009866

IUPAC5-(4-bromophenyl)-N-(3,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1sc2ncnc(Nc3cc(Cl)cc(Cl)c3)c2c1-c1ccc(Br)cc1
InChIInChI=1S/C20H14BrCl2N3S/c1-2-16-17(11-3-5-12(21)6-4-11)18-19(24-10-25-20(18)27-16)26-15-8-13(22)7-14(23)9-15/h3-10H,2H2,1H3,(H,24,25,26)
InChIKeyCEFWJJRAUOKNSA-UHFFFAOYSA-N
MW479.23 g/mol
LogP7.73
Rot. Bonds4

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

5-(4-bromophenyl)-N-(3,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 21009866) has the molecular formula C20H14BrCl2N3S and a molecular weight of 479.23 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(3,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(3,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID21009866
Molecular FormulaC20H14BrCl2N3S
Molecular Weight479.23 g/mol
Exact Mass476.95
IUPAC Name5-(4-bromophenyl)-N-(3,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1sc2ncnc(Nc3cc(Cl)cc(Cl)c3)c2c1-c1ccc(Br)cc1
InChIInChI=1S/C20H14BrCl2N3S/c1-2-16-17(11-3-5-12(21)6-4-11)18-19(24-10-25-20(18)27-16)26-15-8-13(22)7-14(23)9-15/h3-10H,2H2,1H3,(H,24,25,26)
InChIKeyCEFWJJRAUOKNSA-UHFFFAOYSA-N
XLogP7.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.23
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromophenyl)-6-ethyl-N-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012353
methyl 4-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21012251
5-(4-bromophenyl)-6-ethyl-N-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 84550311
5-(4-bromophenyl)-6-ethyl-N-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-amine
CID 84550310
5-(4-bromophenyl)-6-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21011976
5-(4-bromophenyl)-6-ethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 84555580
5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009851
3-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 84555575
5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009282
3-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile
CID 21010497
4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
CID 28864492
N-[3-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 21011874

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(3,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-bromophenyl)-N-(3,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 21009866) is 5-(4-bromophenyl)-N-(3,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-bromophenyl)-N-(3,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-bromophenyl)-N-(3,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1sc2ncnc(Nc3cc(Cl)cc(Cl)c3)c2c1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-(3,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CEFWJJRAUOKNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrCl2N3S/c1-2-16-17(11-3-5-12(21)6-4-11)18-19(24-10-25-20(18)27-16)26-15-8-13(22)7-14(23)9-15/h3-10H,2H2,1H3,(H,24,25,26).
What are the key properties of 5-(4-bromophenyl)-N-(3,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
5-(4-bromophenyl)-N-(3,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 479.23 g/mol, XLogP of 7.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(3,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21009866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).