[5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine

C10H17BrN4O3 — CID 103176581

IUPAC[5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine
SMILESCOCCCOCCOc1nc(NN)ncc1Br
InChIInChI=1S/C10H17BrN4O3/c1-16-3-2-4-17-5-6-18-9-8(11)7-13-10(14-9)15-12/h7H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyFBRBHVRGFZZYJM-UHFFFAOYSA-N
MW321.18 g/mol
LogP0.96
Rot. Bonds9

About [5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine

[5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine (PubChem CID 103176581) has the molecular formula C10H17BrN4O3 and a molecular weight of 321.18 g/mol. Its IUPAC name is [5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine
PubChem CID103176581
Molecular FormulaC10H17BrN4O3
Molecular Weight321.18 g/mol
Exact Mass320.05
IUPAC Name[5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine
SMILESCOCCCOCCOc1nc(NN)ncc1Br
InChIInChI=1S/C10H17BrN4O3/c1-16-3-2-4-17-5-6-18-9-8(11)7-13-10(14-9)15-12/h7H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyFBRBHVRGFZZYJM-UHFFFAOYSA-N
XLogP0.96
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine 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

5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine
CID 103408326
(5-bromo-4-pentoxypyrimidin-2-yl)hydrazine
CID 80911741
[5-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-2-yl]hydrazine
CID 104568409
5-bromo-4-(2-butoxyethoxy)-N-ethylpyrimidin-2-amine
CID 80861009
[5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine
CID 82793945
[5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine
CID 80908991
[4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine
CID 103408623
[5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine
CID 80922146
[5-methyl-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine
CID 80925219
5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine
CID 80858542
[5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine
CID 80923947
5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine (CID 103176581) is [5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine is COCCCOCCOc1nc(NN)ncc1Br.
What is the InChIKey of [5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine?
The InChIKey is FBRBHVRGFZZYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O3/c1-16-3-2-4-17-5-6-18-9-8(11)7-13-10(14-9)15-12/h7H,2-6,12H2,1H3,(H,13,14,15).
What are the key properties of [5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine?
[5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine has a molecular weight of 321.18 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 103176581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).