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

C9H10BrN5S — CID 80911739

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
SMILESNNc1nccc(NCc2ccc(Br)s2)n1
InChIInChI=1S/C9H10BrN5S/c10-7-2-1-6(16-7)5-13-8-3-4-12-9(14-8)15-11/h1-4H,5,11H2,(H2,12,13,14,15)
InChIKeyZSYACJQXJHZNQH-UHFFFAOYSA-N
MW300.19 g/mol
LogP2.20
Rot. Bonds4

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

N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine (PubChem CID 80911739) has the molecular formula C9H10BrN5S and a molecular weight of 300.19 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
PubChem CID80911739
Molecular FormulaC9H10BrN5S
Molecular Weight300.19 g/mol
Exact Mass298.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
SMILESNNc1nccc(NCc2ccc(Br)s2)n1
InChIInChI=1S/C9H10BrN5S/c10-7-2-1-6(16-7)5-13-8-3-4-12-9(14-8)15-11/h1-4H,5,11H2,(H2,12,13,14,15)
InChIKeyZSYACJQXJHZNQH-UHFFFAOYSA-N
XLogP2.20
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 52.20
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'}

Analyze N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 106044018
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911404
N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine
CID 61253580
N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80898932
N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80899114
N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine
CID 130611411
N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 106901045
2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80944833
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 18520488
6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 64595487
3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine
CID 104540435
4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine
CID 80959171

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine (CID 80911739) is N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine is NNc1nccc(NCc2ccc(Br)s2)n1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine?
The InChIKey is ZSYACJQXJHZNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5S/c10-7-2-1-6(16-7)5-13-8-3-4-12-9(14-8)15-11/h1-4H,5,11H2,(H2,12,13,14,15).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine?
N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine has a molecular weight of 300.19 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80911739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).