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

C18H20BrN3S — CID 84555580

IUPAC5-(4-bromophenyl)-6-ethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1sc2ncnc(NCC(C)C)c2c1-c1ccc(Br)cc1
InChIInChI=1S/C18H20BrN3S/c1-4-14-15(12-5-7-13(19)8-6-12)16-17(20-9-11(2)3)21-10-22-18(16)23-14/h5-8,10-11H,4,9H2,1-3H3,(H,20,21,22)
InChIKeyGMJMPTQRESKQQQ-UHFFFAOYSA-N
MW390.35 g/mol
LogP5.75
Rot. Bonds5

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

5-(4-bromophenyl)-6-ethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 84555580) has the molecular formula C18H20BrN3S and a molecular weight of 390.35 g/mol. Its IUPAC name is 5-(4-bromophenyl)-6-ethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-6-ethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID84555580
Molecular FormulaC18H20BrN3S
Molecular Weight390.35 g/mol
Exact Mass389.06
IUPAC Name5-(4-bromophenyl)-6-ethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1sc2ncnc(NCC(C)C)c2c1-c1ccc(Br)cc1
InChIInChI=1S/C18H20BrN3S/c1-4-14-15(12-5-7-13(19)8-6-12)16-17(20-9-11(2)3)21-10-22-18(16)23-14/h5-8,10-11H,4,9H2,1-3H3,(H,20,21,22)
InChIKeyGMJMPTQRESKQQQ-UHFFFAOYSA-N
XLogP5.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.35
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
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
(2S)-2-[[6-ethyl-5-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 155514893
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
2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-butan-2-ylacetamide
CID 23410685

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-6-ethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-bromophenyl)-6-ethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 84555580) is 5-(4-bromophenyl)-6-ethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-bromophenyl)-6-ethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-bromophenyl)-6-ethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine is CCc1sc2ncnc(NCC(C)C)c2c1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-6-ethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GMJMPTQRESKQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3S/c1-4-14-15(12-5-7-13(19)8-6-12)16-17(20-9-11(2)3)21-10-22-18(16)23-14/h5-8,10-11H,4,9H2,1-3H3,(H,20,21,22).
What are the key properties of 5-(4-bromophenyl)-6-ethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
5-(4-bromophenyl)-6-ethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 390.35 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-6-ethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 84555580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).