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

C10H11Br2N5S — CID 80904570

IUPAC5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
SMILESCN(Cc1cc(Br)cs1)c1nc(NN)ncc1Br
InChIInChI=1S/C10H11Br2N5S/c1-17(4-7-2-6(11)5-18-7)9-8(12)3-14-10(15-9)16-13/h2-3,5H,4,13H2,1H3,(H,14,15,16)
InChIKeyINBDWMDTSLJMTJ-UHFFFAOYSA-N
MW393.11 g/mol
LogP2.99
Rot. Bonds4

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

5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine (PubChem CID 80904570) has the molecular formula C10H11Br2N5S and a molecular weight of 393.11 g/mol. Its IUPAC name is 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
PubChem CID80904570
Molecular FormulaC10H11Br2N5S
Molecular Weight393.11 g/mol
Exact Mass390.91
IUPAC Name5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
SMILESCN(Cc1cc(Br)cs1)c1nc(NN)ncc1Br
InChIInChI=1S/C10H11Br2N5S/c1-17(4-7-2-6(11)5-18-7)9-8(12)3-14-10(15-9)16-13/h2-3,5H,4,13H2,1H3,(H,14,15,16)
InChIKeyINBDWMDTSLJMTJ-UHFFFAOYSA-N
XLogP2.99
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.11
LogP ≤ 52.99
H-Bond Donors ≤ 52
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-methyl-N-propylpyrimidin-4-amine
CID 80895372
5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80898833
5-bromo-2-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80782012
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methylpyrimidine-4,5-diamine
CID 79915755
N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80905130
5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80895899
5-fluoro-2-hydrazinyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80907282
5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80914649
N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80917949
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80898903
5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine
CID 107871847
N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine
CID 107373412

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine (CID 80904570) is 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine is CN(Cc1cc(Br)cs1)c1nc(NN)ncc1Br.
What is the InChIKey of 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine?
The InChIKey is INBDWMDTSLJMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N5S/c1-17(4-7-2-6(11)5-18-7)9-8(12)3-14-10(15-9)16-13/h2-3,5H,4,13H2,1H3,(H,14,15,16).
What are the key properties of 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine?
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine has a molecular weight of 393.11 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80904570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).