4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

C13H10BrFN4S — CID 103323312

IUPAC4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc(F)cc2Br)c2ccsc2n1
InChIInChI=1S/C13H10BrFN4S/c1-16-13-18-11(8-4-5-20-12(8)19-13)17-10-3-2-7(15)6-9(10)14/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyMIDXRUPATWPLSY-UHFFFAOYSA-N
MW353.22 g/mol
LogP4.38
Rot. Bonds3

About 4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103323312) has the molecular formula C13H10BrFN4S and a molecular weight of 353.22 g/mol. Its IUPAC name is 4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103323312
Molecular FormulaC13H10BrFN4S
Molecular Weight353.22 g/mol
Exact Mass351.98
IUPAC Name4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc(F)cc2Br)c2ccsc2n1
InChIInChI=1S/C13H10BrFN4S/c1-16-13-18-11(8-4-5-20-12(8)19-13)17-10-3-2-7(15)6-9(10)14/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyMIDXRUPATWPLSY-UHFFFAOYSA-N
XLogP4.38
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-chloro-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323136
4-N-(2-chloro-5-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107531811
4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323316
2-N-methyl-4-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323372
4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323324
4-N-(4-bromo-3-chlorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107617792
4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329248
5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
CID 103335500
N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335513
4-N-[(3-fluorophenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324466
4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323599
4-(2,5-difluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334423

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103323312) is 4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(Nc2ccc(F)cc2Br)c2ccsc2n1.
What is the InChIKey of 4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is MIDXRUPATWPLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN4S/c1-16-13-18-11(8-4-5-20-12(8)19-13)17-10-3-2-7(15)6-9(10)14/h2-6H,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 353.22 g/mol, XLogP of 4.38, 3 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-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103323312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).