N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine

C10H12BrN5S — CID 106044018

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine
SMILESNNc1nccc(NCCc2ccc(Br)s2)n1
InChIInChI=1S/C10H12BrN5S/c11-8-2-1-7(17-8)3-5-13-9-4-6-14-10(15-9)16-12/h1-2,4,6H,3,5,12H2,(H2,13,14,15,16)
InChIKeyXFWFBMTWIIUVMN-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.24
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine (PubChem CID 106044018) has the molecular formula C10H12BrN5S and a molecular weight of 314.21 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine
PubChem CID106044018
Molecular FormulaC10H12BrN5S
Molecular Weight314.21 g/mol
Exact Mass313.00
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine
SMILESNNc1nccc(NCCc2ccc(Br)s2)n1
InChIInChI=1S/C10H12BrN5S/c11-8-2-1-7(17-8)3-5-13-9-4-6-14-10(15-9)16-12/h1-2,4,6H,3,5,12H2,(H2,13,14,15,16)
InChIKeyXFWFBMTWIIUVMN-UHFFFAOYSA-N
XLogP2.24
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.24
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-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911739
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine
CID 106044050
2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80899162
4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine
CID 114139836
N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106048968
6-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbothioamide
CID 106036602
N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine
CID 106038698
N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine
CID 114140674
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911404
2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80912235
2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 80944536
N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 114140159

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine (CID 106044018) is N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine is NNc1nccc(NCCc2ccc(Br)s2)n1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine?
The InChIKey is XFWFBMTWIIUVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5S/c11-8-2-1-7(17-8)3-5-13-9-4-6-14-10(15-9)16-12/h1-2,4,6H,3,5,12H2,(H2,13,14,15,16).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine has a molecular weight of 314.21 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 106044018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).