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

C8H15N5OS — CID 80907395

IUPAC2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol
SMILESCSc1nc(NN)cc(NC(C)CO)n1
InChIInChI=1S/C8H15N5OS/c1-5(4-14)10-6-3-7(13-9)12-8(11-6)15-2/h3,5,14H,4,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyJYXRPLCALHCMEK-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.28
Rot. Bonds5

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

2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 80907395) has the molecular formula C8H15N5OS and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID80907395
Molecular FormulaC8H15N5OS
Molecular Weight229.31 g/mol
Exact Mass229.10
IUPAC Name2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol
SMILESCSc1nc(NN)cc(NC(C)CO)n1
InChIInChI=1S/C8H15N5OS/c1-5(4-14)10-6-3-7(13-9)12-8(11-6)15-2/h3,5,14H,4,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyJYXRPLCALHCMEK-UHFFFAOYSA-N
XLogP0.28
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.28
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

6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
CID 80915241
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80947239
6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80897715
1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
CID 80907263
3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 83180615
4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80921541
2-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol
CID 80906308
2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80896872
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
[6-(2-methylpropylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80925282
3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163726

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol (CID 80907395) is 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol is CSc1nc(NN)cc(NC(C)CO)n1.
What is the InChIKey of 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is JYXRPLCALHCMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5OS/c1-5(4-14)10-6-3-7(13-9)12-8(11-6)15-2/h3,5,14H,4,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol?
2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 229.31 g/mol, XLogP of 0.28, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 80907395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).