N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine

C9H17BrN6 — CID 80918989

IUPACN-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1nc(NN)ncc1Br
InChIInChI=1S/C9H17BrN6/c1-3-16(2)5-4-12-8-7(10)6-13-9(14-8)15-11/h6H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyUFKKXFKQDCHJNJ-UHFFFAOYSA-N
MW289.18 g/mol
LogP0.89
Rot. Bonds6

About N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine

N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 80918989) has the molecular formula C9H17BrN6 and a molecular weight of 289.18 g/mol. Its IUPAC name is N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID80918989
Molecular FormulaC9H17BrN6
Molecular Weight289.18 g/mol
Exact Mass288.07
IUPAC NameN-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1nc(NN)ncc1Br
InChIInChI=1S/C9H17BrN6/c1-3-16(2)5-4-12-8-7(10)6-13-9(14-8)15-11/h6H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyUFKKXFKQDCHJNJ-UHFFFAOYSA-N
XLogP0.89
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 50.89
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-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine 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-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 79073683
methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80899107
N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 114835871
5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine
CID 80895372
5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide
CID 106241957
5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine
CID 80903174
5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine
CID 80930723
5-bromo-2-hydrazinyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80922898
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366608
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80918985
N-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 79557378
5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 80908067

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine (CID 80918989) is N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine is CCN(C)CCNc1nc(NN)ncc1Br.
What is the InChIKey of N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is UFKKXFKQDCHJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN6/c1-3-16(2)5-4-12-8-7(10)6-13-9(14-8)15-11/h6H,3-5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 289.18 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 80918989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).