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

C14H14BrN5S — CID 103335460

IUPACN-(4-bromo-2-ethylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc(Br)ccc1Nc1nc(NN)nc2sccc12
InChIInChI=1S/C14H14BrN5S/c1-2-8-7-9(15)3-4-11(8)17-12-10-5-6-21-13(10)19-14(18-12)20-16/h3-7H,2,16H2,1H3,(H2,17,18,19,20)
InChIKeyHAHMAJVCDXLVHT-UHFFFAOYSA-N
MW364.27 g/mol
LogP4.05
Rot. Bonds4

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

N-(4-bromo-2-ethylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103335460) has the molecular formula C14H14BrN5S and a molecular weight of 364.27 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103335460
Molecular FormulaC14H14BrN5S
Molecular Weight364.27 g/mol
Exact Mass363.02
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc(Br)ccc1Nc1nc(NN)nc2sccc12
InChIInChI=1S/C14H14BrN5S/c1-2-8-7-9(15)3-4-11(8)17-12-10-5-6-21-13(10)19-14(18-12)20-16/h3-7H,2,16H2,1H3,(H2,17,18,19,20)
InChIKeyHAHMAJVCDXLVHT-UHFFFAOYSA-N
XLogP4.05
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.05
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

N-(2-bromo-5-methylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335513
4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325268
2-N-(4-bromo-2-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 81287998
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
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
2-hydrazinyl-N-(2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334767
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
5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine
CID 81288979
2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333804

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine (CID 103335460) is N-(4-bromo-2-ethylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine is CCc1cc(Br)ccc1Nc1nc(NN)nc2sccc12.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HAHMAJVCDXLVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5S/c1-2-8-7-9(15)3-4-11(8)17-12-10-5-6-21-13(10)19-14(18-12)20-16/h3-7H,2,16H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
N-(4-bromo-2-ethylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 364.27 g/mol, XLogP of 4.05, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103335460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).