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

C9H9Br2N5S — CID 80911404

IUPAC5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(Br)c(NCc2ccc(Br)s2)n1
InChIInChI=1S/C9H9Br2N5S/c10-6-4-14-9(16-12)15-8(6)13-3-5-1-2-7(11)17-5/h1-2,4H,3,12H2,(H2,13,14,15,16)
InChIKeyAXESAYMHKUQWIH-UHFFFAOYSA-N
MW379.08 g/mol
LogP2.96
Rot. Bonds4

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

5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine (PubChem CID 80911404) has the molecular formula C9H9Br2N5S and a molecular weight of 379.08 g/mol. Its IUPAC name is 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
PubChem CID80911404
Molecular FormulaC9H9Br2N5S
Molecular Weight379.08 g/mol
Exact Mass376.89
IUPAC Name5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(Br)c(NCc2ccc(Br)s2)n1
InChIInChI=1S/C9H9Br2N5S/c10-6-4-14-9(16-12)15-8(6)13-3-5-1-2-7(11)17-5/h1-2,4H,3,12H2,(H2,13,14,15,16)
InChIKeyAXESAYMHKUQWIH-UHFFFAOYSA-N
XLogP2.96
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.08
LogP ≤ 52.96
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

5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80907879
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80913534
5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80837168
N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911739
4-N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 80836650
5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80898973
5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine
CID 80930723
N-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81006916
N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
CID 106013089
N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063898
2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine
CID 81132228
N-[(5-bromothiophen-2-yl)methyl]-5-iodopyrimidin-4-amine
CID 66343007

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine (CID 80911404) is 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine is NNc1ncc(Br)c(NCc2ccc(Br)s2)n1.
What is the InChIKey of 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine?
The InChIKey is AXESAYMHKUQWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2N5S/c10-6-4-14-9(16-12)15-8(6)13-3-5-1-2-7(11)17-5/h1-2,4H,3,12H2,(H2,13,14,15,16).
What are the key properties of 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine?
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine has a molecular weight of 379.08 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80911404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).