3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol

C10H19N5OS — CID 106311885

IUPAC3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
SMILESCc1cnc(NN)nc1NCCSCCCO
InChIInChI=1S/C10H19N5OS/c1-8-7-13-10(15-11)14-9(8)12-3-6-17-5-2-4-16/h7,16H,2-6,11H2,1H3,(H2,12,13,14,15)
InChIKeyOUVGYHTVWHQZSC-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.60
Rot. Bonds8

About 3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol

3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol (PubChem CID 106311885) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
PubChem CID106311885
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
SMILESCc1cnc(NN)nc1NCCSCCCO
InChIInChI=1S/C10H19N5OS/c1-8-7-13-10(15-11)14-9(8)12-3-6-17-5-2-4-16/h7,16H,2-6,11H2,1H3,(H2,12,13,14,15)
InChIKeyOUVGYHTVWHQZSC-UHFFFAOYSA-N
XLogP0.60
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.60
H-Bond Donors ≤ 54
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 3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol with MolForge

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Related Compounds

5-fluoro-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80912567
3-[(5-Fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80914891
3-[[2-(Ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163383
3-[[5-Fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163493
3-[[5-Fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163494
3-[(5-Fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163723
2,2-Difluoro-3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 106179589
1-[(5-Fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249107
3-[2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311294
3-[2-[[2-(Ethylamino)-5-fluoropyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311703
3-[2-[[5-Fluoro-2-(propylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311743
3-[2-[[5-Fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311744

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol (CID 106311885) is 3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol is Cc1cnc(NN)nc1NCCSCCCO.
What is the InChIKey of 3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol?
The InChIKey is OUVGYHTVWHQZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-8-7-13-10(15-11)14-9(8)12-3-6-17-5-2-4-16/h7,16H,2-6,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol?
3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol has a molecular weight of 257.36 g/mol, XLogP of 0.60, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 106311885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).