2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanehydrazide

C8H12N4O2S — CID 63581560

IUPAC2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanehydrazide
SMILESCC(CSc1nccc(=O)[nH]1)C(=O)NN
InChIInChI=1S/C8H12N4O2S/c1-5(7(14)12-9)4-15-8-10-3-2-6(13)11-8/h2-3,5H,4,9H2,1H3,(H,12,14)(H,10,11,13)
InChIKeyULQXWGMNFISSOP-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.51
Rot. Bonds4

About 2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanehydrazide

2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanehydrazide (PubChem CID 63581560) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanehydrazide.

Molecular Properties

Compound Name2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanehydrazide
PubChem CID63581560
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanehydrazide
SMILESCC(CSc1nccc(=O)[nH]1)C(=O)NN
InChIInChI=1S/C8H12N4O2S/c1-5(7(14)12-9)4-15-8-10-3-2-6(13)11-8/h2-3,5H,4,9H2,1H3,(H,12,14)(H,10,11,13)
InChIKeyULQXWGMNFISSOP-UHFFFAOYSA-N
XLogP-0.51
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
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

methyl 2-bromo-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate
CID 81092562
N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 39759075
3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenylpropanoic acid
CID 63099284
2-[2-amino-2-(4-methylphenyl)ethyl]sulfanyl-1H-pyrimidin-6-one
CID 64610329
3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide
CID 63590276
methyl 2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate
CID 79391683
4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)butanamide
CID 63034632
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7213972
4-fluoro-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzohydrazide
CID 107459092
3-bromo-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzohydrazide
CID 102774932
2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 62464174
2-[2-(ethylamino)ethylsulfanyl]-1H-pyrimidin-6-one
CID 61385767

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanehydrazide?
The IUPAC name of 2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanehydrazide (CID 63581560) is 2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanehydrazide.
What is the SMILES notation for 2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanehydrazide?
The canonical SMILES for 2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanehydrazide is CC(CSc1nccc(=O)[nH]1)C(=O)NN.
What is the InChIKey of 2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanehydrazide?
The InChIKey is ULQXWGMNFISSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-5(7(14)12-9)4-15-8-10-3-2-6(13)11-8/h2-3,5H,4,9H2,1H3,(H,12,14)(H,10,11,13).
What are the key properties of 2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanehydrazide?
2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanehydrazide has a molecular weight of 228.28 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanehydrazide is sourced from PubChem (CID 63581560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).