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

C14H12BrClN4S — CID 103329248

IUPAC4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2ccc(Cl)cc2Br)c2ccsc2n1
InChIInChI=1S/C14H12BrClN4S/c1-2-17-14-19-12(9-5-6-21-13(9)20-14)18-11-4-3-8(16)7-10(11)15/h3-7H,2H2,1H3,(H2,17,18,19,20)
InChIKeyOYANFRIWQQOQHU-UHFFFAOYSA-N
MW383.70 g/mol
LogP5.28
Rot. Bonds4

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

4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103329248) has the molecular formula C14H12BrClN4S and a molecular weight of 383.70 g/mol. Its IUPAC name is 4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103329248
Molecular FormulaC14H12BrClN4S
Molecular Weight383.70 g/mol
Exact Mass381.97
IUPAC Name4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2ccc(Cl)cc2Br)c2ccsc2n1
InChIInChI=1S/C14H12BrClN4S/c1-2-17-14-19-12(9-5-6-21-13(9)20-14)18-11-4-3-8(16)7-10(11)15/h3-7H,2H2,1H3,(H2,17,18,19,20)
InChIKeyOYANFRIWQQOQHU-UHFFFAOYSA-N
XLogP5.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.70
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323599
4-N-(3-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329001
4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325268
4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323312
4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327305
6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102759236
4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330800
N-(4-bromo-2-ethylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335460
4-N-(2-bromo-5-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 81271743
N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335513
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103329248) is 4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(Nc2ccc(Cl)cc2Br)c2ccsc2n1.
What is the InChIKey of 4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is OYANFRIWQQOQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN4S/c1-2-17-14-19-12(9-5-6-21-13(9)20-14)18-11-4-3-8(16)7-10(11)15/h3-7H,2H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 383.70 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103329248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).