1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol

C10H19N5OS — CID 80922994

IUPAC1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCSc1nc(NN)cc(N(C)CC(C)(C)O)n1
InChIInChI=1S/C10H19N5OS/c1-10(2,16)6-15(3)8-5-7(14-11)12-9(13-8)17-4/h5,16H,6,11H2,1-4H3,(H,12,13,14)
InChIKeyJUNYFJXITUODSA-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.69
Rot. Bonds5

About 1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol

1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 80922994) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID80922994
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCSc1nc(NN)cc(N(C)CC(C)(C)O)n1
InChIInChI=1S/C10H19N5OS/c1-10(2,16)6-15(3)8-5-7(14-11)12-9(13-8)17-4/h5,16H,6,11H2,1-4H3,(H,12,13,14)
InChIKeyJUNYFJXITUODSA-UHFFFAOYSA-N
XLogP0.69
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.69
H-Bond Donors ≤ 53
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-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80923771
1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 114150416
6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80906376
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 105421075
2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 80896124
4-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954261
4-N-methyl-2-methylsulfanyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80791496
6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80907218
4-N-(2,2-dimethylpropyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80903569
2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80895810
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80899995
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80958949

Frequently Asked Questions

What is the IUPAC name of 1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (CID 80922994) is 1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is CSc1nc(NN)cc(N(C)CC(C)(C)O)n1.
What is the InChIKey of 1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is JUNYFJXITUODSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-10(2,16)6-15(3)8-5-7(14-11)12-9(13-8)17-4/h5,16H,6,11H2,1-4H3,(H,12,13,14).
What are the key properties of 1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 257.36 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80922994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).