4-pyrimidin-2-ylsulfanylbutanehydrazide

C8H12N4OS — CID 63581554

IUPAC4-pyrimidin-2-ylsulfanylbutanehydrazide
SMILESNNC(=O)CCCSc1ncccn1
InChIInChI=1S/C8H12N4OS/c9-12-7(13)3-1-6-14-8-10-4-2-5-11-8/h2,4-5H,1,3,6,9H2,(H,12,13)
InChIKeyXPZDMORRPDUNTF-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.34
Rot. Bonds5

About 4-pyrimidin-2-ylsulfanylbutanehydrazide

4-pyrimidin-2-ylsulfanylbutanehydrazide (PubChem CID 63581554) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 4-pyrimidin-2-ylsulfanylbutanehydrazide.

Molecular Properties

Compound Name4-pyrimidin-2-ylsulfanylbutanehydrazide
PubChem CID63581554
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name4-pyrimidin-2-ylsulfanylbutanehydrazide
SMILESNNC(=O)CCCSc1ncccn1
InChIInChI=1S/C8H12N4OS/c9-12-7(13)3-1-6-14-8-10-4-2-5-11-8/h2,4-5H,1,3,6,9H2,(H,12,13)
InChIKeyXPZDMORRPDUNTF-UHFFFAOYSA-N
XLogP0.34
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminopyrazin-2-yl)sulfanylbutanehydrazide
CID 106679462
4-pyrazin-2-ylsulfanylbutanehydrazide
CID 63580949
N-(5-amino-2-methylphenyl)-4-pyrimidin-2-ylsulfanylbutanamide
CID 28533558
3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide
CID 63582535
4-(4-fluorophenyl)sulfanylbutanehydrazide
CID 63580028
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide
CID 55212515
3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 25038576
4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide
CID 63590297
4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide
CID 112596217
5-thiophen-2-ylsulfanylpentanehydrazide
CID 63580812
4-(2-oxopyrimidin-1-yl)butanehydrazide
CID 63572413
4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide
CID 158671854

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-ylsulfanylbutanehydrazide?
The IUPAC name of 4-pyrimidin-2-ylsulfanylbutanehydrazide (CID 63581554) is 4-pyrimidin-2-ylsulfanylbutanehydrazide.
What is the SMILES notation for 4-pyrimidin-2-ylsulfanylbutanehydrazide?
The canonical SMILES for 4-pyrimidin-2-ylsulfanylbutanehydrazide is NNC(=O)CCCSc1ncccn1.
What is the InChIKey of 4-pyrimidin-2-ylsulfanylbutanehydrazide?
The InChIKey is XPZDMORRPDUNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c9-12-7(13)3-1-6-14-8-10-4-2-5-11-8/h2,4-5H,1,3,6,9H2,(H,12,13).
What are the key properties of 4-pyrimidin-2-ylsulfanylbutanehydrazide?
4-pyrimidin-2-ylsulfanylbutanehydrazide has a molecular weight of 212.28 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-ylsulfanylbutanehydrazide is sourced from PubChem (CID 63581554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).