4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

C10H19N5OS — CID 80921541

IUPAC4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCSc1nc(NN)cc(NCC(C)CCO)n1
InChIInChI=1S/C10H19N5OS/c1-7(3-4-16)6-12-8-5-9(15-11)14-10(13-8)17-2/h5,7,16H,3-4,6,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyWJXXTGFLMOJAJK-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.91
Rot. Bonds7

About 4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 80921541) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
PubChem CID80921541
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCSc1nc(NN)cc(NCC(C)CCO)n1
InChIInChI=1S/C10H19N5OS/c1-7(3-4-16)6-12-8-5-9(15-11)14-10(13-8)17-2/h5,7,16H,3-4,6,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyWJXXTGFLMOJAJK-UHFFFAOYSA-N
XLogP0.91
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
CID 80907263
4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80968898
N-(2,3-dimethylbutyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80918315
6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine
CID 102909009
2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol
CID 80907395
4-[(6-hydrazinyl-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 80921705
3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80968493
2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80937623
3-[[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80926110
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80947904
3-[(6-hydrazinylpyrazin-2-yl)amino]-2-methylpropan-1-ol
CID 80915442
6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80922985

Frequently Asked Questions

What is the IUPAC name of 4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (CID 80921541) is 4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is CSc1nc(NN)cc(NCC(C)CCO)n1.
What is the InChIKey of 4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is WJXXTGFLMOJAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-7(3-4-16)6-12-8-5-9(15-11)14-10(13-8)17-2/h5,7,16H,3-4,6,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol has a molecular weight of 257.36 g/mol, XLogP of 0.91, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80921541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).