3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol

C12H23N5OS — CID 106163695

IUPAC3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C12H23N5OS/c1-7(2)12-15-10(5-11(16-12)17-13)14-8(3)9(6-18)19-4/h5,7-9,18H,6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyKOLTVNCECVKGGW-UHFFFAOYSA-N
MW285.42 g/mol
LogP1.41
Rot. Bonds7

About 3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol

3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106163695) has the molecular formula C12H23N5OS and a molecular weight of 285.42 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
PubChem CID106163695
Molecular FormulaC12H23N5OS
Molecular Weight285.42 g/mol
Exact Mass285.16
IUPAC Name3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C12H23N5OS/c1-7(2)12-15-10(5-11(16-12)17-13)14-8(3)9(6-18)19-4/h5,7-9,18H,6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyKOLTVNCECVKGGW-UHFFFAOYSA-N
XLogP1.41
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 51.41
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

3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163726
3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103819994
3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80980092
2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol
CID 80907395
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 113484576
ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 80964798
(2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol
CID 97085786
3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106162990
2-chloro-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114152086
methyl 4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-6-methylpyrimidine-2-carboxylate
CID 106158982
2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 113240528
N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964267

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol (CID 106163695) is 3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)Nc1cc(NN)nc(C(C)C)n1.
What is the InChIKey of 3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is KOLTVNCECVKGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5OS/c1-7(2)12-15-10(5-11(16-12)17-13)14-8(3)9(6-18)19-4/h5,7-9,18H,6,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 285.42 g/mol, XLogP of 1.41, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106163695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).