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

C11H22N6OS — CID 114150416

IUPAC1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCSc1nc(NN)cc(NCC(C)(O)CN(C)C)n1
InChIInChI=1S/C11H22N6OS/c1-11(18,7-17(2)3)6-13-8-5-9(16-12)15-10(14-8)19-4/h5,18H,6-7,12H2,1-4H3,(H2,13,14,15,16)
InChIKeyYFRPJBHPBZBONZ-UHFFFAOYSA-N
MW286.41 g/mol
LogP0.21
Rot. Bonds7

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

1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol (PubChem CID 114150416) has the molecular formula C11H22N6OS and a molecular weight of 286.41 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
PubChem CID114150416
Molecular FormulaC11H22N6OS
Molecular Weight286.41 g/mol
Exact Mass286.16
IUPAC Name1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCSc1nc(NN)cc(NCC(C)(O)CN(C)C)n1
InChIInChI=1S/C11H22N6OS/c1-11(18,7-17(2)3)6-13-8-5-9(16-12)15-10(14-8)19-4/h5,18H,6-7,12H2,1-4H3,(H2,13,14,15,16)
InChIKeyYFRPJBHPBZBONZ-UHFFFAOYSA-N
XLogP0.21
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol (CID 114150416) is 1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol is CSc1nc(NN)cc(NCC(C)(O)CN(C)C)n1.
What is the InChIKey of 1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The InChIKey is YFRPJBHPBZBONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6OS/c1-11(18,7-17(2)3)6-13-8-5-9(16-12)15-10(14-8)19-4/h5,18H,6-7,12H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol has a molecular weight of 286.41 g/mol, XLogP of 0.21, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 114150416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).