2-pyrimidin-4-ylsulfanylbutanehydrazide

C8H12N4OS — CID 63697154

IUPAC2-pyrimidin-4-ylsulfanylbutanehydrazide
SMILESCCC(Sc1ccncn1)C(=O)NN
InChIInChI=1S/C8H12N4OS/c1-2-6(8(13)12-9)14-7-3-4-10-5-11-7/h3-6H,2,9H2,1H3,(H,12,13)
InChIKeySWUQCHNESGXVEL-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.34
Rot. Bonds4

About 2-pyrimidin-4-ylsulfanylbutanehydrazide

2-pyrimidin-4-ylsulfanylbutanehydrazide (PubChem CID 63697154) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 2-pyrimidin-4-ylsulfanylbutanehydrazide.

Molecular Properties

Compound Name2-pyrimidin-4-ylsulfanylbutanehydrazide
PubChem CID63697154
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name2-pyrimidin-4-ylsulfanylbutanehydrazide
SMILESCCC(Sc1ccncn1)C(=O)NN
InChIInChI=1S/C8H12N4OS/c1-2-6(8(13)12-9)14-7-3-4-10-5-11-7/h3-6H,2,9H2,1H3,(H,12,13)
InChIKeySWUQCHNESGXVEL-UHFFFAOYSA-N
XLogP0.34
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-pyrimidin-4-ylsulfanylbutanehydrazide
CID 63696626
2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide
CID 63581272
2-[(3-amino-2-pyridinyl)sulfanyl]butanehydrazide
CID 63590814
N'-hydroxy-3-pyrimidin-4-ylsulfanylpentanimidamide
CID 77017400
1-pyrimidin-4-ylsulfanylethanol
CID 54459485
3-phenyl-2-pyrimidin-4-ylsulfanylpropanoic acid
CID 61252592
3-pyrimidin-4-ylsulfanylpentanimidamide
CID 63695864
N-methyl-2-pyrimidin-4-ylsulfanylpentan-3-amine
CID 64627855
N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide
CID 63582470
3-pyrimidin-4-ylsulfanylheptan-4-amine
CID 64627649
2-pyridin-2-ylsulfanylbutanamide
CID 21127936
ethyl 3-pyrimidin-4-ylsulfanylpropanoate
CID 63697970

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-4-ylsulfanylbutanehydrazide?
The IUPAC name of 2-pyrimidin-4-ylsulfanylbutanehydrazide (CID 63697154) is 2-pyrimidin-4-ylsulfanylbutanehydrazide.
What is the SMILES notation for 2-pyrimidin-4-ylsulfanylbutanehydrazide?
The canonical SMILES for 2-pyrimidin-4-ylsulfanylbutanehydrazide is CCC(Sc1ccncn1)C(=O)NN.
What is the InChIKey of 2-pyrimidin-4-ylsulfanylbutanehydrazide?
The InChIKey is SWUQCHNESGXVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-2-6(8(13)12-9)14-7-3-4-10-5-11-7/h3-6H,2,9H2,1H3,(H,12,13).
What are the key properties of 2-pyrimidin-4-ylsulfanylbutanehydrazide?
2-pyrimidin-4-ylsulfanylbutanehydrazide has a molecular weight of 212.28 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-4-ylsulfanylbutanehydrazide is sourced from PubChem (CID 63697154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).