3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol

C12H22N4OS — CID 80996563

IUPAC3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
SMILESCc1c(NN)nc(C(C)C)nc1SCC(C)CO
InChIInChI=1S/C12H22N4OS/c1-7(2)10-14-11(16-13)9(4)12(15-10)18-6-8(3)5-17/h7-8,17H,5-6,13H2,1-4H3,(H,14,15,16)
InChIKeyJQZPFYKWIGBFKP-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.91
Rot. Bonds6

About 3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol

3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol (PubChem CID 80996563) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
PubChem CID80996563
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
SMILESCc1c(NN)nc(C(C)C)nc1SCC(C)CO
InChIInChI=1S/C12H22N4OS/c1-7(2)10-14-11(16-13)9(4)12(15-10)18-6-8(3)5-17/h7-8,17H,5-6,13H2,1-4H3,(H,14,15,16)
InChIKeyJQZPFYKWIGBFKP-UHFFFAOYSA-N
XLogP1.91
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol
CID 80995863
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163644
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 80995792
[2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766327
3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80980092
[5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 107766364
3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80994978
[5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001666
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557168
[5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80995930
(6-ethylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 80925717
(5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80996244

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol (CID 80996563) is 3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol is Cc1c(NN)nc(C(C)C)nc1SCC(C)CO.
What is the InChIKey of 3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is JQZPFYKWIGBFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-7(2)10-14-11(16-13)9(4)12(15-10)18-6-8(3)5-17/h7-8,17H,5-6,13H2,1-4H3,(H,14,15,16).
What are the key properties of 3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 270.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 80996563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).