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

C9H9BrClN5S — CID 80913534

IUPAC5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(Br)c(NCc2ccc(Cl)s2)n1
InChIInChI=1S/C9H9BrClN5S/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)
InChIKeyFFODMVPXZKWDNL-UHFFFAOYSA-N
MW334.63 g/mol
LogP2.85
Rot. Bonds4

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

5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine (PubChem CID 80913534) has the molecular formula C9H9BrClN5S and a molecular weight of 334.63 g/mol. Its IUPAC name is 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
PubChem CID80913534
Molecular FormulaC9H9BrClN5S
Molecular Weight334.63 g/mol
Exact Mass332.95
IUPAC Name5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(Br)c(NCc2ccc(Cl)s2)n1
InChIInChI=1S/C9H9BrClN5S/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)
InChIKeyFFODMVPXZKWDNL-UHFFFAOYSA-N
XLogP2.85
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.63
LogP ≤ 52.85
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-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911404
5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80907879
5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80837168
3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine
CID 104506895
N-[(5-chlorothiophen-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80912485
5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80898973
6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine
CID 115925207
5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80930673
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 102835909
N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
CID 106013089
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063465
4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328163

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine (CID 80913534) is 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine is NNc1ncc(Br)c(NCc2ccc(Cl)s2)n1.
What is the InChIKey of 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine?
The InChIKey is FFODMVPXZKWDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN5S/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-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine?
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine has a molecular weight of 334.63 g/mol, XLogP of 2.85, 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-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80913534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).