5-(4-bromophenyl)-6-ethyl-N-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

C15H12BrN7S — CID 84550311

IUPAC5-(4-bromophenyl)-6-ethyl-N-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1sc2ncnc(Nc3nn[nH]n3)c2c1-c1ccc(Br)cc1
InChIInChI=1S/C15H12BrN7S/c1-2-10-11(8-3-5-9(16)6-4-8)12-13(17-7-18-14(12)24-10)19-15-20-22-23-21-15/h3-7H,2H2,1H3,(H2,17,18,19,20,21,22,23)
InChIKeyOEINTLSEXQCEGH-UHFFFAOYSA-N
MW402.28 g/mol
LogP3.94
Rot. Bonds4

About 5-(4-bromophenyl)-6-ethyl-N-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

5-(4-bromophenyl)-6-ethyl-N-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 84550311) has the molecular formula C15H12BrN7S and a molecular weight of 402.28 g/mol. Its IUPAC name is 5-(4-bromophenyl)-6-ethyl-N-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-6-ethyl-N-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID84550311
Molecular FormulaC15H12BrN7S
Molecular Weight402.28 g/mol
Exact Mass401.01
IUPAC Name5-(4-bromophenyl)-6-ethyl-N-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1sc2ncnc(Nc3nn[nH]n3)c2c1-c1ccc(Br)cc1
InChIInChI=1S/C15H12BrN7S/c1-2-10-11(8-3-5-9(16)6-4-8)12-13(17-7-18-14(12)24-10)19-15-20-22-23-21-15/h3-7H,2H2,1H3,(H2,17,18,19,20,21,22,23)
InChIKeyOEINTLSEXQCEGH-UHFFFAOYSA-N
XLogP3.94
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-bromophenyl)-N-(3,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 21009866
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-(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
methyl 4-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21012251
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-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012353
4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide
CID 21009309
5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 69061425
4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
CID 28864492
5-(4-bromophenyl)-6-ethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 84557420
3-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile
CID 21010497

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-6-ethyl-N-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-bromophenyl)-6-ethyl-N-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (CID 84550311) is 5-(4-bromophenyl)-6-ethyl-N-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-bromophenyl)-6-ethyl-N-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-bromophenyl)-6-ethyl-N-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is CCc1sc2ncnc(Nc3nn[nH]n3)c2c1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-6-ethyl-N-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OEINTLSEXQCEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN7S/c1-2-10-11(8-3-5-9(16)6-4-8)12-13(17-7-18-14(12)24-10)19-15-20-22-23-21-15/h3-7H,2H2,1H3,(H2,17,18,19,20,21,22,23).
What are the key properties of 5-(4-bromophenyl)-6-ethyl-N-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
5-(4-bromophenyl)-6-ethyl-N-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 402.28 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-6-ethyl-N-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 84550311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).