4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine

C14H13BrN4S — CID 103323599

IUPAC4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2ccccc2Br)c2ccsc2n1
InChIInChI=1S/C14H13BrN4S/c1-2-16-14-18-12(9-7-8-20-13(9)19-14)17-11-6-4-3-5-10(11)15/h3-8H,2H2,1H3,(H2,16,17,18,19)
InChIKeyKAGSBSSXLYNLNV-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.63
Rot. Bonds4

About 4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103323599) has the molecular formula C14H13BrN4S and a molecular weight of 349.26 g/mol. Its IUPAC name is 4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103323599
Molecular FormulaC14H13BrN4S
Molecular Weight349.26 g/mol
Exact Mass348.00
IUPAC Name4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2ccccc2Br)c2ccsc2n1
InChIInChI=1S/C14H13BrN4S/c1-2-16-14-18-12(9-7-8-20-13(9)19-14)17-11-6-4-3-5-10(11)15/h3-8H,2H2,1H3,(H2,16,17,18,19)
InChIKeyKAGSBSSXLYNLNV-UHFFFAOYSA-N
XLogP4.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329248
4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325268
4-N-(3-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329001
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330800
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330161
4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323312
N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335513
4-N-[(2-bromophenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325539

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103323599) is 4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(Nc2ccccc2Br)c2ccsc2n1.
What is the InChIKey of 4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is KAGSBSSXLYNLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4S/c1-2-16-14-18-12(9-7-8-20-13(9)19-14)17-11-6-4-3-5-10(11)15/h3-8H,2H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 349.26 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103323599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).