1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol

C11H21N5O2S — CID 106249085

IUPAC1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCOCc1nc(NN)cc(NCC(C)(O)CSC)n1
InChIInChI=1S/C11H21N5O2S/c1-11(17,7-19-3)6-13-8-4-9(16-12)15-10(14-8)5-18-2/h4,17H,5-7,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyGDJODBBUMYIMNN-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.43
Rot. Bonds8

About 1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol

1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106249085) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106249085
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCOCc1nc(NN)cc(NCC(C)(O)CSC)n1
InChIInChI=1S/C11H21N5O2S/c1-11(17,7-19-3)6-13-8-4-9(16-12)15-10(14-8)5-18-2/h4,17H,5-7,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyGDJODBBUMYIMNN-UHFFFAOYSA-N
XLogP0.43
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.43
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'}

Analyze 1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol with MolForge

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Related Compounds

1-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248979
1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249072
6-hydrazinyl-2-(methoxymethyl)-N-(2-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 104767519
1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248913
1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296318
1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106256542
3-[2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311903
1-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 80937784
1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 106150090
1-(dimethylamino)-3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 106150364
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106256622
4-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149886

Frequently Asked Questions

What is the IUPAC name of 1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 106249085) is 1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol is COCc1nc(NN)cc(NCC(C)(O)CSC)n1.
What is the InChIKey of 1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is GDJODBBUMYIMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-11(17,7-19-3)6-13-8-4-9(16-12)15-10(14-8)5-18-2/h4,17H,5-7,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 287.39 g/mol, XLogP of 0.43, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106249085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).