N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine

C13H12BrN5S — CID 103335513

IUPACN-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Br)c(Nc2nc(NN)nc3sccc23)c1
InChIInChI=1S/C13H12BrN5S/c1-7-2-3-9(14)10(6-7)16-11-8-4-5-20-12(8)18-13(17-11)19-15/h2-6H,15H2,1H3,(H2,16,17,18,19)
InChIKeyXWXFVZADNXZXTO-UHFFFAOYSA-N
MW350.25 g/mol
LogP3.79
Rot. Bonds3

About N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine

N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103335513) has the molecular formula C13H12BrN5S and a molecular weight of 350.25 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103335513
Molecular FormulaC13H12BrN5S
Molecular Weight350.25 g/mol
Exact Mass349.00
IUPAC NameN-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Br)c(Nc2nc(NN)nc3sccc23)c1
InChIInChI=1S/C13H12BrN5S/c1-7-2-3-9(14)10(6-7)16-11-8-4-5-20-12(8)18-13(17-11)19-15/h2-6H,15H2,1H3,(H2,16,17,18,19)
InChIKeyXWXFVZADNXZXTO-UHFFFAOYSA-N
XLogP3.79
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyl-N-(2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334767
N-(4-bromo-2-ethylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335460
2-hydrazinyl-N-(2-iodophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334778
4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323312
4-N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323320
2-hydrazinyl-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103335344
5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
CID 103335500
5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930663
4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323599
2-hydrazinyl-N-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 103334460
4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329248
2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320957

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine (CID 103335513) is N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine is Cc1ccc(Br)c(Nc2nc(NN)nc3sccc23)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XWXFVZADNXZXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5S/c1-7-2-3-9(14)10(6-7)16-11-8-4-5-20-12(8)18-13(17-11)19-15/h2-6H,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 350.25 g/mol, XLogP of 3.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103335513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).