[5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine

C7H11BrN4OS — CID 80922146

IUPAC[5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine
SMILESCOCCSc1nc(NN)ncc1Br
InChIInChI=1S/C7H11BrN4OS/c1-13-2-3-14-6-5(8)4-10-7(11-6)12-9/h4H,2-3,9H2,1H3,(H,10,11,12)
InChIKeyRSBLDHJJPMEFDT-UHFFFAOYSA-N
MW279.16 g/mol
LogP1.26
Rot. Bonds5

About [5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine

[5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine (PubChem CID 80922146) has the molecular formula C7H11BrN4OS and a molecular weight of 279.16 g/mol. Its IUPAC name is [5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine
PubChem CID80922146
Molecular FormulaC7H11BrN4OS
Molecular Weight279.16 g/mol
Exact Mass277.98
IUPAC Name[5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine
SMILESCOCCSc1nc(NN)ncc1Br
InChIInChI=1S/C7H11BrN4OS/c1-13-2-3-14-6-5(8)4-10-7(11-6)12-9/h4H,2-3,9H2,1H3,(H,10,11,12)
InChIKeyRSBLDHJJPMEFDT-UHFFFAOYSA-N
XLogP1.26
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol
CID 80921412
[5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine
CID 103176581
(5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine
CID 80925442
[5-bromo-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931159
5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 80908831
[5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine
CID 80922418
1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80913402
(5-bromo-4-pentoxypyrimidin-2-yl)hydrazine
CID 80911741
5-bromo-N-ethyl-2-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80901659
methyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate
CID 80922919
(5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine
CID 80926989
(4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine
CID 80921912

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine (CID 80922146) is [5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine is COCCSc1nc(NN)ncc1Br.
What is the InChIKey of [5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine?
The InChIKey is RSBLDHJJPMEFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4OS/c1-13-2-3-14-6-5(8)4-10-7(11-6)12-9/h4H,2-3,9H2,1H3,(H,10,11,12).
What are the key properties of [5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine?
[5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine has a molecular weight of 279.16 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80922146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).