5-(4-bromophenyl)-6-ethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine

C20H22BrN3S — CID 84557420

IUPAC5-(4-bromophenyl)-6-ethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCCc1sc2ncnc(N3CCCC(C)C3)c2c1-c1ccc(Br)cc1
InChIInChI=1S/C20H22BrN3S/c1-3-16-17(14-6-8-15(21)9-7-14)18-19(22-12-23-20(18)25-16)24-10-4-5-13(2)11-24/h6-9,12-13H,3-5,10-11H2,1-2H3
InChIKeySWNCPEDGPGGAMT-UHFFFAOYSA-N
MW416.39 g/mol
LogP5.92
Rot. Bonds3

About 5-(4-bromophenyl)-6-ethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine

5-(4-bromophenyl)-6-ethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 84557420) has the molecular formula C20H22BrN3S and a molecular weight of 416.39 g/mol. Its IUPAC name is 5-(4-bromophenyl)-6-ethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-6-ethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID84557420
Molecular FormulaC20H22BrN3S
Molecular Weight416.39 g/mol
Exact Mass415.07
IUPAC Name5-(4-bromophenyl)-6-ethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCCc1sc2ncnc(N3CCCC(C)C3)c2c1-c1ccc(Br)cc1
InChIInChI=1S/C20H22BrN3S/c1-3-16-17(14-6-8-15(21)9-7-14)18-19(22-12-23-20(18)25-16)24-10-4-5-13(2)11-24/h6-9,12-13H,3-5,10-11H2,1-2H3
InChIKeySWNCPEDGPGGAMT-UHFFFAOYSA-N
XLogP5.92
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.39
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine
CID 28848023
5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2973940
N-(4-bromophenyl)-6-methyl-4-[(3S)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 95050552
ethyl 5-methyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 4293981
5-(4-bromophenyl)-6-ethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 84555580
3-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 84555575
5-(4-bromophenyl)-N-(3,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 21009866
4-(3-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80672734
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-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 69061425
6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 92901168

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-6-ethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-bromophenyl)-6-ethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine (CID 84557420) is 5-(4-bromophenyl)-6-ethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-6-ethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-6-ethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine is CCc1sc2ncnc(N3CCCC(C)C3)c2c1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-6-ethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is SWNCPEDGPGGAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3S/c1-3-16-17(14-6-8-15(21)9-7-14)18-19(22-12-23-20(18)25-16)24-10-4-5-13(2)11-24/h6-9,12-13H,3-5,10-11H2,1-2H3.
What are the key properties of 5-(4-bromophenyl)-6-ethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
5-(4-bromophenyl)-6-ethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 416.39 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-6-ethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 84557420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).