3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol

C10H19N5OS — CID 106163694

IUPAC3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1ncnc(NN)c1C
InChIInChI=1S/C10H19N5OS/c1-6-9(12-5-13-10(6)15-11)14-7(2)8(4-16)17-3/h5,7-8,16H,4,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyIGYNCXKOZZWHAO-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.59
Rot. Bonds6

About 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol

3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106163694) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
PubChem CID106163694
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1ncnc(NN)c1C
InChIInChI=1S/C10H19N5OS/c1-6-9(12-5-13-10(6)15-11)14-7(2)8(4-16)17-3/h5,7-8,16H,4,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyIGYNCXKOZZWHAO-UHFFFAOYSA-N
XLogP0.59
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.59
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

2-methylsulfanyl-3-(quinazolin-4-ylamino)butan-1-ol
CID 103683883
3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163553
6-hydrazinyl-5-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80913030
3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163392
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]quinazoline-7-carboxylic acid
CID 106161960
methyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate
CID 80897187
2-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82949727
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106358458
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106162577
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163431
3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid
CID 106162775
3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163701

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol (CID 106163694) is 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)Nc1ncnc(NN)c1C.
What is the InChIKey of 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is IGYNCXKOZZWHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-6-9(12-5-13-10(6)15-11)14-7(2)8(4-16)17-3/h5,7-8,16H,4,11H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 257.36 g/mol, XLogP of 0.59, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106163694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).